6-[cyclopentyl(isobutyl)amino]-N-1H-indazol-5-ylpyrimidine-4-carboxamide

HCID 25182913

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CC(C)CN(c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1)C1CCCC1
InChIKey: HDMIXUZKPWZRNL-UHFFFAOYSA-N
Molecular formula: C21H26N6O
Average molar mass: 378.5 g/mol
Monoisotopic mass: 378.21680947

Names & identifiers

Preferred name: 6-[cyclopentyl(isobutyl)amino]-N-1H-indazol-5-ylpyrimidine-4-carboxamide
IUPAC: 6-[cyclopentyl(2-methylpropyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide

Names & synonyms

SCHEMBL3035337CHEMBL3936796HDMIXUZKPWZRNL-UHFFFAOYSA-NBDBM183676US9150519, I-696-[cyclopentyl(isobutyl)amino]-N-1H-indazol-5-ylpyrimidine-4-carboxamide

Database identifiers

PubChem CID: 25182913
ChEMBL: CHEMBL3936796

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 86.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 6
Heavy atoms: 28
Formal charge: 0
Complexity: 523

Related reactions

3 records

New reaction record

HRID 1115310As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1746746As productuspto-grants-2015_10

HRID 1946765As productuspto-grants-2013_03

Compound notes

Loading…