6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-4-(1-propan-2-ylpyrazol-4-yl)-2H-pyrrolo[3,4-c]pyridin-3-ol

C19H25FN6O — CID 137092722

IUPAC6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-4-(1-propan-2-ylpyrazol-4-yl)-2H-pyrrolo[3,4-c]pyridin-3-ol
SMILESCC(C)n1cc(-c2nc(N[C@@H]3CCCC[C@@H]3N)c(F)c3c[nH]c(O)c23)cn1
InChIInChI=1S/C19H25FN6O/c1-10(2)26-9-11(7-23-26)17-15-12(8-22-19(15)27)16(20)18(25-17)24-14-6-4-3-5-13(14)21/h7-10,13-14,22,24,27H,3-6,21H2,1-2H3/t13-,14+/m0/s1
InChIKeyONUPSYHNTNQHKL-UONOGXRCSA-N
MW372.45 g/mol
LogP3.53
Rot. Bonds4

About 6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-4-(1-propan-2-ylpyrazol-4-yl)-2H-pyrrolo[3,4-c]pyridin-3-ol

6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-4-(1-propan-2-ylpyrazol-4-yl)-2H-pyrrolo[3,4-c]pyridin-3-ol (PubChem CID 137092722) 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-4-(1-propan-2-ylpyrazol-4-yl)-2H-pyrrolo[3,4-c]pyridin-3-ol.

Molecular Properties

Compound Name6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-4-(1-propan-2-ylpyrazol-4-yl)-2H-pyrrolo[3,4-c]pyridin-3-ol
PubChem CID137092722
Molecular FormulaC19H25FN6O
Molecular Weight372.45 g/mol
Exact Mass372.21
IUPAC Name6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-4-(1-propan-2-ylpyrazol-4-yl)-2H-pyrrolo[3,4-c]pyridin-3-ol
SMILESCC(C)n1cc(-c2nc(N[C@@H]3CCCC[C@@H]3N)c(F)c3c[nH]c(O)c23)cn1
InChIInChI=1S/C19H25FN6O/c1-10(2)26-9-11(7-23-26)17-15-12(8-22-19(15)27)16(20)18(25-17)24-14-6-4-3-5-13(14)21/h7-10,13-14,22,24,27H,3-6,21H2,1-2H3/t13-,14+/m0/s1
InChIKeyONUPSYHNTNQHKL-UONOGXRCSA-N
XLogP3.53
TPSA104.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]phenol
CID 118930200
6-[(2-aminocyclohexyl)amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-3-ol
CID 123772144
6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-3-ol
CID 132180460
6-[[(2R)-2-amino-3,3-difluorocyclohexyl]amino]-4-[1-(difluoromethyl)pyrazol-4-yl]-7-fluoro-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-3-ol
CID 134532750
(2R)-2-[[4-(1-cyclopropylpyrazol-4-yl)-7-fluoro-3-hydroxy-2H-pyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide
CID 137029877
6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-4-thiophen-3-yl-2H-pyrrolo[3,4-c]pyridin-3-ol
CID 137030211
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[1-(4-fluorophenyl)pyrazol-4-yl]-6H-pyrrolo[3,4-d]pyrimidin-5-ol
CID 137030825
6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-4-(3-methylanilino)-2H-pyrrolo[3,4-c]pyridin-3-ol
CID 137030976
6-[[(2R)-2-amino-3,3-difluorocyclohexyl]amino]-4-(3-methylanilino)-2H-pyrrolo[3,4-c]pyridin-3-ol
CID 137032570
6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(4-fluoro-3-methylanilino)-2H-pyrrolo[3,4-c]pyridin-3-ol
CID 137036653
6-[[(2R)-2-amino-3,3-difluorocyclohexyl]amino]-4-[1-(difluoromethyl)pyrazol-4-yl]-7-fluoro-2H-pyrrolo[3,4-c]pyridin-3-ol
CID 137037581
2-[(2-aminocyclohexyl)amino]-4-[1-(4-fluorophenyl)pyrazol-4-yl]-6H-pyrrolo[3,4-d]pyrimidin-5-ol
CID 137045070

Frequently Asked Questions

What is the IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-4-(1-propan-2-ylpyrazol-4-yl)-2H-pyrrolo[3,4-c]pyridin-3-ol?
The IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-4-(1-propan-2-ylpyrazol-4-yl)-2H-pyrrolo[3,4-c]pyridin-3-ol (CID 137092722) is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-4-(1-propan-2-ylpyrazol-4-yl)-2H-pyrrolo[3,4-c]pyridin-3-ol.
What is the SMILES notation for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-4-(1-propan-2-ylpyrazol-4-yl)-2H-pyrrolo[3,4-c]pyridin-3-ol?
The canonical SMILES for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-4-(1-propan-2-ylpyrazol-4-yl)-2H-pyrrolo[3,4-c]pyridin-3-ol is CC(C)n1cc(-c2nc(N[C@@H]3CCCC[C@@H]3N)c(F)c3c[nH]c(O)c23)cn1.
What is the InChIKey of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-4-(1-propan-2-ylpyrazol-4-yl)-2H-pyrrolo[3,4-c]pyridin-3-ol?
The InChIKey is ONUPSYHNTNQHKL-UONOGXRCSA-N. The full InChI is InChI=1S/C19H25FN6O/c1-10(2)26-9-11(7-23-26)17-15-12(8-22-19(15)27)16(20)18(25-17)24-14-6-4-3-5-13(14)21/h7-10,13-14,22,24,27H,3-6,21H2,1-2H3/t13-,14+/m0/s1.
What are the key properties of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-4-(1-propan-2-ylpyrazol-4-yl)-2H-pyrrolo[3,4-c]pyridin-3-ol?
6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-4-(1-propan-2-ylpyrazol-4-yl)-2H-pyrrolo[3,4-c]pyridin-3-ol has a molecular weight of 372.45 g/mol, XLogP of 3.53, 4 rotatable bonds, 4 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-4-(1-propan-2-ylpyrazol-4-yl)-2H-pyrrolo[3,4-c]pyridin-3-ol is sourced from PubChem (CID 137092722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).