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

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Basic information

CAS: 147920-15-8
Standard SMILES: CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3cc(NC(=O)C(F)(F)F)ccc3[nH]2)CC1
InChIKey: IQWZRCANSWEHQR-UHFFFAOYSA-N
Molecular formula: C23H25F3N6O2
Average molar mass: 474.5 g/mol
Monoisotopic mass: 474.19910855

Names & identifiers

Preferred name: 1-((5-(Trifluoroacetylamino)-2-indolyl)carbonyl)-4-(3-(isopropylamino)-2-pyridinyl)piperazine
IUPAC: 2,2,2-trifluoro-N-[2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-5-yl]acetamide

Names & synonyms

147920-15-81-((5-(Trifluoroacetylamino)-2-indolyl)carbonyl)-4-(3-(isopropylamino)-2-pyridinyl)piperazine1-[[5-(Trifluoroacetylamino)-2-indolyl]carbonyl]-4-[3-(isopropylamino)-2-pyridinyl]piperazineCHEMBL34010BDBM2305DTXSID101638372,2,2-trifluoro-N-[2-({4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl}carbonyl)-1H-indol-5-yl]acetamide2,2,2-Trifluoro-N-[2-(4-{3-[(propan-2-yl)amino]pyridin-2-yl}piperazine-1-carbonyl)-1H-indol-5-yl]acetamide2,2,2-trifluoro-N-[2-[4-[3-(isopropylamino)-2-pyridyl]piperazine-1-carbonyl]-1H-indol-5-yl]acetamide

Database identifiers

CAS: 147920-15-8
PubChem CID: 454730
DTXSID: DTXSID10163837
ChEMBL: CHEMBL34010

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 93.4 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 8
Rotatable bonds: 5
Heavy atoms: 34
Formal charge: 0
Complexity: 728

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Compound notes

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