6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(1-cyclopropylpyrazol-4-yl)-7-fluoro-1,2-dihydropyrrolo[3,4-c]pyridin-3-one

C19H23FN6O — CID 53250370

IUPAC6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(1-cyclopropylpyrazol-4-yl)-7-fluoro-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
SMILESN[C@H]1CCCC[C@H]1Nc1nc(-c2cnn(C3CC3)c2)c2c(c1F)CNC2=O
InChIInChI=1S/C19H23FN6O/c20-16-12-8-22-19(27)15(12)17(10-7-23-26(9-10)11-5-6-11)25-18(16)24-14-4-2-1-3-13(14)21/h7,9,11,13-14H,1-6,8,21H2,(H,22,27)(H,24,25)/t13-,14+/m0/s1
InChIKeyUHMBAIDDVAGJCG-UONOGXRCSA-N
MW370.43 g/mol
LogP2.34
Rot. Bonds4

About 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(1-cyclopropylpyrazol-4-yl)-7-fluoro-1,2-dihydropyrrolo[3,4-c]pyridin-3-one

6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(1-cyclopropylpyrazol-4-yl)-7-fluoro-1,2-dihydropyrrolo[3,4-c]pyridin-3-one (PubChem CID 53250370) has the molecular formula C19H23FN6O and a molecular weight of 370.43 g/mol. Its IUPAC name is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(1-cyclopropylpyrazol-4-yl)-7-fluoro-1,2-dihydropyrrolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(1-cyclopropylpyrazol-4-yl)-7-fluoro-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
PubChem CID53250370
Molecular FormulaC19H23FN6O
Molecular Weight370.43 g/mol
Exact Mass370.19
IUPAC Name6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(1-cyclopropylpyrazol-4-yl)-7-fluoro-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
SMILESN[C@H]1CCCC[C@H]1Nc1nc(-c2cnn(C3CC3)c2)c2c(c1F)CNC2=O
InChIInChI=1S/C19H23FN6O/c20-16-12-8-22-19(27)15(12)17(10-7-23-26(9-10)11-5-6-11)25-18(16)24-14-4-2-1-3-13(14)21/h7,9,11,13-14H,1-6,8,21H2,(H,22,27)(H,24,25)/t13-,14+/m0/s1
InChIKeyUHMBAIDDVAGJCG-UONOGXRCSA-N
XLogP2.34
TPSA97.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(1-cyclopropylpyrazol-4-yl)-7-fluoro-1,2-dihydropyrrolo[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]-4-(1-cyclopropylpyrazol-4-yl)-7-fluoro-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
The IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(1-cyclopropylpyrazol-4-yl)-7-fluoro-1,2-dihydropyrrolo[3,4-c]pyridin-3-one (CID 53250370) is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(1-cyclopropylpyrazol-4-yl)-7-fluoro-1,2-dihydropyrrolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(1-cyclopropylpyrazol-4-yl)-7-fluoro-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
The canonical SMILES for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(1-cyclopropylpyrazol-4-yl)-7-fluoro-1,2-dihydropyrrolo[3,4-c]pyridin-3-one is N[C@H]1CCCC[C@H]1Nc1nc(-c2cnn(C3CC3)c2)c2c(c1F)CNC2=O.
What is the InChIKey of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(1-cyclopropylpyrazol-4-yl)-7-fluoro-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
The InChIKey is UHMBAIDDVAGJCG-UONOGXRCSA-N. The full InChI is InChI=1S/C19H23FN6O/c20-16-12-8-22-19(27)15(12)17(10-7-23-26(9-10)11-5-6-11)25-18(16)24-14-4-2-1-3-13(14)21/h7,9,11,13-14H,1-6,8,21H2,(H,22,27)(H,24,25)/t13-,14+/m0/s1.
What are the key properties of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(1-cyclopropylpyrazol-4-yl)-7-fluoro-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(1-cyclopropylpyrazol-4-yl)-7-fluoro-1,2-dihydropyrrolo[3,4-c]pyridin-3-one has a molecular weight of 370.43 g/mol, XLogP of 2.34, 4 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]-4-(1-cyclopropylpyrazol-4-yl)-7-fluoro-1,2-dihydropyrrolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 53250370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).