6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-1,1-dimethyl-4-(1-methylpyrazol-4-yl)-2H-pyrrolo[3,4-c]pyridin-3-one

C19H25FN6O — CID 53251007

IUPAC6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-1,1-dimethyl-4-(1-methylpyrazol-4-yl)-2H-pyrrolo[3,4-c]pyridin-3-one
SMILESCn1cc(-c2nc(N[C@@H]3CCCC[C@@H]3N)c(F)c3c2C(=O)NC3(C)C)cn1
InChIInChI=1S/C19H25FN6O/c1-19(2)14-13(18(27)25-19)16(10-8-22-26(3)9-10)24-17(15(14)20)23-12-7-5-4-6-11(12)21/h8-9,11-12H,4-7,21H2,1-3H3,(H,23,24)(H,25,27)/t11-,12+/m0/s1
InChIKeyXLLZLRGOFITEPW-NWDGAFQWSA-N
MW372.45 g/mol
LogP2.28
Rot. Bonds3

About 6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-1,1-dimethyl-4-(1-methylpyrazol-4-yl)-2H-pyrrolo[3,4-c]pyridin-3-one

6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-1,1-dimethyl-4-(1-methylpyrazol-4-yl)-2H-pyrrolo[3,4-c]pyridin-3-one (PubChem CID 53251007) has the molecular formula C19H25FN6O and a molecular weight of 372.45 g/mol. Its IUPAC name is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-1,1-dimethyl-4-(1-methylpyrazol-4-yl)-2H-pyrrolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-1,1-dimethyl-4-(1-methylpyrazol-4-yl)-2H-pyrrolo[3,4-c]pyridin-3-one
PubChem CID53251007
Molecular FormulaC19H25FN6O
Molecular Weight372.45 g/mol
Exact Mass372.21
IUPAC Name6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-1,1-dimethyl-4-(1-methylpyrazol-4-yl)-2H-pyrrolo[3,4-c]pyridin-3-one
SMILESCn1cc(-c2nc(N[C@@H]3CCCC[C@@H]3N)c(F)c3c2C(=O)NC3(C)C)cn1
InChIInChI=1S/C19H25FN6O/c1-19(2)14-13(18(27)25-19)16(10-8-22-26(3)9-10)24-17(15(14)20)23-12-7-5-4-6-11(12)21/h8-9,11-12H,4-7,21H2,1-3H3,(H,23,24)(H,25,27)/t11-,12+/m0/s1
InChIKeyXLLZLRGOFITEPW-NWDGAFQWSA-N
XLogP2.28
TPSA97.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-1,1-dimethyl-4-(1-methylpyrazol-4-yl)-2H-pyrrolo[3,4-c]pyridin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-1,1-dimethyl-4-(1-methylpyrazol-4-yl)-2H-pyrrolo[3,4-c]pyridin-3-one?
The IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-1,1-dimethyl-4-(1-methylpyrazol-4-yl)-2H-pyrrolo[3,4-c]pyridin-3-one (CID 53251007) is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-1,1-dimethyl-4-(1-methylpyrazol-4-yl)-2H-pyrrolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-1,1-dimethyl-4-(1-methylpyrazol-4-yl)-2H-pyrrolo[3,4-c]pyridin-3-one?
The canonical SMILES for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-1,1-dimethyl-4-(1-methylpyrazol-4-yl)-2H-pyrrolo[3,4-c]pyridin-3-one is Cn1cc(-c2nc(N[C@@H]3CCCC[C@@H]3N)c(F)c3c2C(=O)NC3(C)C)cn1.
What is the InChIKey of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-1,1-dimethyl-4-(1-methylpyrazol-4-yl)-2H-pyrrolo[3,4-c]pyridin-3-one?
The InChIKey is XLLZLRGOFITEPW-NWDGAFQWSA-N. The full InChI is InChI=1S/C19H25FN6O/c1-19(2)14-13(18(27)25-19)16(10-8-22-26(3)9-10)24-17(15(14)20)23-12-7-5-4-6-11(12)21/h8-9,11-12H,4-7,21H2,1-3H3,(H,23,24)(H,25,27)/t11-,12+/m0/s1.
What are the key properties of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-1,1-dimethyl-4-(1-methylpyrazol-4-yl)-2H-pyrrolo[3,4-c]pyridin-3-one?
6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-1,1-dimethyl-4-(1-methylpyrazol-4-yl)-2H-pyrrolo[3,4-c]pyridin-3-one has a molecular weight of 372.45 g/mol, XLogP of 2.28, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-1,1-dimethyl-4-(1-methylpyrazol-4-yl)-2H-pyrrolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 53251007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).