1-((5-((Methoxycarbonyl)amino)-2-indolyl)carbonyl)-4-(3-(isopropylamino)-2-pyridinyl)piperazine

Substructure search Find similar structures

Basic information

CAS: 147920-14-7
Standard SMILES: COC(=O)Nc1ccc2[nH]c(C(=O)N3CCN(c4ncccc4NC(C)C)CC3)cc2c1
InChIKey: RJAJNEQIFMJEIK-UHFFFAOYSA-N
Molecular formula: C23H28N6O3
Average molar mass: 436.5 g/mol
Monoisotopic mass: 436.22228878

Names & identifiers

Preferred name: 1-((5-((Methoxycarbonyl)amino)-2-indolyl)carbonyl)-4-(3-(isopropylamino)-2-pyridinyl)piperazine
IUPAC: methyl N-[2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-5-yl]carbamate

Names & synonyms

147920-14-71-((5-((Methoxycarbonyl)amino)-2-indolyl)carbonyl)-4-(3-(isopropylamino)-2-pyridinyl)piperazineDTXSID501638361-[[5-[(Methoxycarbonyl)amino]-2-indolyl]carbonyl]-4-[3-(isopropylamino)-2-pyridinyl]piperazineRefChem:222154DTXCID2086327Methyl (2-(4-(3-(isopropylamino)pyridin-2-yl)piperazine-1-carbonyl)-1H-indol-5-yl)carbamateBDBM2304CHEMBL415871Methyl [2-(4-{3-[(propan-2-yl)amino]pyridin-2-yl}piperazine-1-carbonyl)-1H-indol-5-yl]carbamatemethyl N-[2-({4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl}carbonyl)-1H-indol-5-yl]carbamatemethyl N-[2-[4-[3-(isopropylamino)-2-pyridyl]piperazine-1-carbonyl]-1H-indol-5-yl]carbamate

Database identifiers

CAS: 147920-14-7
PubChem CID: 454729
DTXSID: DTXSID50163836
ChEMBL: CHEMBL415871

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 103 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 6
Rotatable bonds: 6
Heavy atoms: 32
Formal charge: 0
Complexity: 654

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…