6-[(2-aminocyclohexyl)amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-3-ol

C17H23FN6O — CID 123772144

IUPAC6-[(2-aminocyclohexyl)amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-3-ol
SMILESCn1cc(-c2nc(NC3CCCCC3N)c(F)c3c2C(O)NC3)cn1
InChIInChI=1S/C17H23FN6O/c1-24-8-9(6-21-24)15-13-10(7-20-17(13)25)14(18)16(23-15)22-12-5-3-2-4-11(12)19/h6,8,11-12,17,20,25H,2-5,7,19H2,1H3,(H,22,23)
InChIKeyRFECSIKSRCGCRT-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.40
Rot. Bonds3

About 6-[(2-aminocyclohexyl)amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-3-ol

6-[(2-aminocyclohexyl)amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-3-ol (PubChem CID 123772144) has the molecular formula C17H23FN6O and a molecular weight of 346.41 g/mol. Its IUPAC name is 6-[(2-aminocyclohexyl)amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-3-ol.

Molecular Properties

Compound Name6-[(2-aminocyclohexyl)amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-3-ol
PubChem CID123772144
Molecular FormulaC17H23FN6O
Molecular Weight346.41 g/mol
Exact Mass346.19
IUPAC Name6-[(2-aminocyclohexyl)amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-3-ol
SMILESCn1cc(-c2nc(NC3CCCCC3N)c(F)c3c2C(O)NC3)cn1
InChIInChI=1S/C17H23FN6O/c1-24-8-9(6-21-24)15-13-10(7-20-17(13)25)14(18)16(23-15)22-12-5-3-2-4-11(12)19/h6,8,11-12,17,20,25H,2-5,7,19H2,1H3,(H,22,23)
InChIKeyRFECSIKSRCGCRT-UHFFFAOYSA-N
XLogP1.40
TPSA101.02 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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

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Related Compounds

1-(4-Fluorophenyl)-2-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-2-yl]ethanol
CID 122139001
[6-[(2-Ethylpyrazol-3-yl)amino]-4-(4-fluorophenyl)-5-methyl-2-propan-2-yl-3-pyridinyl]methanol
CID 59712169
[2-(difluoromethyl)-3-fluoro-4-pyridinyl]-[4-[3-[4-(6-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]cyclobutyl]piperazin-1-yl]methanol
CID 123796619
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
1-[2-[(4,4-Difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)pyridin-4-yl]-2-(1-methyltriazol-4-yl)ethanol
CID 132207039
1-[2-[(4,4-Difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)pyridin-4-yl]-2-(2-methyltriazol-4-yl)ethanol
CID 132207044
1-[2-[(4,4-Difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)pyridin-4-yl]-2-(3-methyltriazol-4-yl)ethanol
CID 132207045
[2-[(4,4-Difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)pyridin-4-yl]-pyridin-3-ylmethanol
CID 132207410
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-(difluoromethyl)pyrazol-4-yl]-7-fluoro-3-hydroxy-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide
CID 134532767
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
6-[[(2R)-2-amino-3,3-difluorocyclohexyl]amino]-4-(1-cyclopropylpyrazol-4-yl)-7-fluoro-2H-pyrrolo[3,4-c]pyridin-3-ol
CID 137047823

Frequently Asked Questions

What is the IUPAC name of 6-[(2-aminocyclohexyl)amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-3-ol?
The IUPAC name of 6-[(2-aminocyclohexyl)amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-3-ol (CID 123772144) is 6-[(2-aminocyclohexyl)amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-3-ol.
What is the SMILES notation for 6-[(2-aminocyclohexyl)amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-3-ol?
The canonical SMILES for 6-[(2-aminocyclohexyl)amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-3-ol is Cn1cc(-c2nc(NC3CCCCC3N)c(F)c3c2C(O)NC3)cn1.
What is the InChIKey of 6-[(2-aminocyclohexyl)amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-3-ol?
The InChIKey is RFECSIKSRCGCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN6O/c1-24-8-9(6-21-24)15-13-10(7-20-17(13)25)14(18)16(23-15)22-12-5-3-2-4-11(12)19/h6,8,11-12,17,20,25H,2-5,7,19H2,1H3,(H,22,23).
What are the key properties of 6-[(2-aminocyclohexyl)amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-3-ol?
6-[(2-aminocyclohexyl)amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-3-ol has a molecular weight of 346.41 g/mol, XLogP of 1.40, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-aminocyclohexyl)amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-3-ol is sourced from PubChem (CID 123772144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).