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

C18H23FN6O — CID 53250367

IUPAC6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(1-ethylpyrazol-4-yl)-7-fluoro-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
SMILESCCn1cc(-c2nc(N[C@@H]3CCCC[C@@H]3N)c(F)c3c2C(=O)NC3)cn1
InChIInChI=1S/C18H23FN6O/c1-2-25-9-10(7-22-25)16-14-11(8-21-18(14)26)15(19)17(24-16)23-13-6-4-3-5-12(13)20/h7,9,12-13H,2-6,8,20H2,1H3,(H,21,26)(H,23,24)/t12-,13+/m0/s1
InChIKeyNQOCNKBQTUREJV-QWHCGFSZSA-N
MW358.42 g/mol
LogP2.03
Rot. Bonds4

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

6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(1-ethylpyrazol-4-yl)-7-fluoro-1,2-dihydropyrrolo[3,4-c]pyridin-3-one (PubChem CID 53250367) has the molecular formula C18H23FN6O and a molecular weight of 358.42 g/mol. Its IUPAC name is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(1-ethylpyrazol-4-yl)-7-fluoro-1,2-dihydropyrrolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(1-ethylpyrazol-4-yl)-7-fluoro-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
PubChem CID53250367
Molecular FormulaC18H23FN6O
Molecular Weight358.42 g/mol
Exact Mass358.19
IUPAC Name6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(1-ethylpyrazol-4-yl)-7-fluoro-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
SMILESCCn1cc(-c2nc(N[C@@H]3CCCC[C@@H]3N)c(F)c3c2C(=O)NC3)cn1
InChIInChI=1S/C18H23FN6O/c1-2-25-9-10(7-22-25)16-14-11(8-21-18(14)26)15(19)17(24-16)23-13-6-4-3-5-12(13)20/h7,9,12-13H,2-6,8,20H2,1H3,(H,21,26)(H,23,24)/t12-,13+/m0/s1
InChIKeyNQOCNKBQTUREJV-QWHCGFSZSA-N
XLogP2.03
TPSA97.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(1-ethylpyrazol-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

Related Compounds

Mivavotinib
CID 53252276
6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(3-methylanilino)-7-(1H-pyrazol-4-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
CID 53242134
4-[2-amino-5-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]-N-[(1S)-2-amino-1-phenylethyl]-2-fluorobenzamide
CID 118045669
7-Fluoro-4-[(1-methylpyrazol-4-yl)amino]-6-(5-prop-2-enoyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
CID 146367232
N-[(3S)-1-[(2R)-2-(4-Fluorophenyl)-2-methyl-1H,2H,3H-pyrrolo[2,3-b]lpyridine-5-carbonyl]-pyrrolidin-3-yl]-N-methylacetamide
CID 146430108
N-[(3S)-1-[(2R)-2-(3-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide
CID 146430127
US11142525, Example 22
CID 146593069
N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N,2-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 146637376
7-Fluoro-4-[(1-methylpyrazol-4-yl)amino]-6-(1-prop-2-enoyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
CID 153449392
2-(4-Fluorophenyl)-3-[2-(propan-2-ylamino)-4-pyridinyl]pyrazolo[1,5-a]pyridine-6-carboxamide
CID 11560165
2-amino-N-[(2,5-difluorophenyl)methyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 66553437
2-amino-N-[(3,4-difluorophenyl)methyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 66553439

Frequently Asked Questions

What is the IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(1-ethylpyrazol-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-ethylpyrazol-4-yl)-7-fluoro-1,2-dihydropyrrolo[3,4-c]pyridin-3-one (CID 53250367) is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(1-ethylpyrazol-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-ethylpyrazol-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-ethylpyrazol-4-yl)-7-fluoro-1,2-dihydropyrrolo[3,4-c]pyridin-3-one is CCn1cc(-c2nc(N[C@@H]3CCCC[C@@H]3N)c(F)c3c2C(=O)NC3)cn1.
What is the InChIKey of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(1-ethylpyrazol-4-yl)-7-fluoro-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
The InChIKey is NQOCNKBQTUREJV-QWHCGFSZSA-N. The full InChI is InChI=1S/C18H23FN6O/c1-2-25-9-10(7-22-25)16-14-11(8-21-18(14)26)15(19)17(24-16)23-13-6-4-3-5-12(13)20/h7,9,12-13H,2-6,8,20H2,1H3,(H,21,26)(H,23,24)/t12-,13+/m0/s1.
What are the key properties of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(1-ethylpyrazol-4-yl)-7-fluoro-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(1-ethylpyrazol-4-yl)-7-fluoro-1,2-dihydropyrrolo[3,4-c]pyridin-3-one has a molecular weight of 358.42 g/mol, XLogP of 2.03, 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-ethylpyrazol-4-yl)-7-fluoro-1,2-dihydropyrrolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 53250367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).