6-[[(1R,2S)-2-aminocyclohexyl]amino]-3-oxo-4-pyrazolo[1,5-a]pyridin-3-yl-1,2-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile

C21H21N7O — CID 134146337

IUPAC6-[[(1R,2S)-2-aminocyclohexyl]amino]-3-oxo-4-pyrazolo[1,5-a]pyridin-3-yl-1,2-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile
SMILESN#Cc1c(N[C@@H]2CCCC[C@@H]2N)nc(-c2cnn3ccccc23)c2c1CNC2=O
InChIInChI=1S/C21H21N7O/c22-9-12-13-10-24-21(29)18(13)19(14-11-25-28-8-4-3-7-17(14)28)27-20(12)26-16-6-2-1-5-15(16)23/h3-4,7-8,11,15-16H,1-2,5-6,10,23H2,(H,24,29)(H,26,27)/t15-,16+/m0/s1
InChIKeyZWGTZVUZDIHLON-JKSUJKDBSA-N
MW387.45 g/mol
LogP2.19
Rot. Bonds3

About 6-[[(1R,2S)-2-aminocyclohexyl]amino]-3-oxo-4-pyrazolo[1,5-a]pyridin-3-yl-1,2-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile

6-[[(1R,2S)-2-aminocyclohexyl]amino]-3-oxo-4-pyrazolo[1,5-a]pyridin-3-yl-1,2-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile (PubChem CID 134146337) has the molecular formula C21H21N7O and a molecular weight of 387.45 g/mol. Its IUPAC name is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-3-oxo-4-pyrazolo[1,5-a]pyridin-3-yl-1,2-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile.

Molecular Properties

Compound Name6-[[(1R,2S)-2-aminocyclohexyl]amino]-3-oxo-4-pyrazolo[1,5-a]pyridin-3-yl-1,2-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile
PubChem CID134146337
Molecular FormulaC21H21N7O
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC Name6-[[(1R,2S)-2-aminocyclohexyl]amino]-3-oxo-4-pyrazolo[1,5-a]pyridin-3-yl-1,2-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile
SMILESN#Cc1c(N[C@@H]2CCCC[C@@H]2N)nc(-c2cnn3ccccc23)c2c1CNC2=O
InChIInChI=1S/C21H21N7O/c22-9-12-13-10-24-21(29)18(13)19(14-11-25-28-8-4-3-7-17(14)28)27-20(12)26-16-6-2-1-5-15(16)23/h3-4,7-8,11,15-16H,1-2,5-6,10,23H2,(H,24,29)(H,26,27)/t15-,16+/m0/s1
InChIKeyZWGTZVUZDIHLON-JKSUJKDBSA-N
XLogP2.19
TPSA121.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-[[(1R,2S)-2-aminocyclohexyl]amino]-3-oxo-4-pyrazolo[1,5-a]pyridin-3-yl-1,2-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-3-oxo-4-pyrazolo[1,5-a]pyridin-3-yl-1,2-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile?
The IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-3-oxo-4-pyrazolo[1,5-a]pyridin-3-yl-1,2-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile (CID 134146337) is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-3-oxo-4-pyrazolo[1,5-a]pyridin-3-yl-1,2-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile.
What is the SMILES notation for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-3-oxo-4-pyrazolo[1,5-a]pyridin-3-yl-1,2-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile?
The canonical SMILES for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-3-oxo-4-pyrazolo[1,5-a]pyridin-3-yl-1,2-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile is N#Cc1c(N[C@@H]2CCCC[C@@H]2N)nc(-c2cnn3ccccc23)c2c1CNC2=O.
What is the InChIKey of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-3-oxo-4-pyrazolo[1,5-a]pyridin-3-yl-1,2-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile?
The InChIKey is ZWGTZVUZDIHLON-JKSUJKDBSA-N. The full InChI is InChI=1S/C21H21N7O/c22-9-12-13-10-24-21(29)18(13)19(14-11-25-28-8-4-3-7-17(14)28)27-20(12)26-16-6-2-1-5-15(16)23/h3-4,7-8,11,15-16H,1-2,5-6,10,23H2,(H,24,29)(H,26,27)/t15-,16+/m0/s1.
What are the key properties of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-3-oxo-4-pyrazolo[1,5-a]pyridin-3-yl-1,2-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile?
6-[[(1R,2S)-2-aminocyclohexyl]amino]-3-oxo-4-pyrazolo[1,5-a]pyridin-3-yl-1,2-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile has a molecular weight of 387.45 g/mol, XLogP of 2.19, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-3-oxo-4-pyrazolo[1,5-a]pyridin-3-yl-1,2-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile is sourced from PubChem (CID 134146337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).