1-(4,4-difluorocyclohexyl)-6-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-5H-pyrazolo[5,4-b]pyridin-4-one

C23H23F2N5O — CID 160923077

IUPAC1-(4,4-difluorocyclohexyl)-6-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-5H-pyrazolo[5,4-b]pyridin-4-one
SMILESCc1ccn(-c2ccccc2CC2=Nc3c(cnn3C3CCC(F)(F)CC3)C(=O)C2)n1
InChIInChI=1S/C23H23F2N5O/c1-15-8-11-29(28-15)20-5-3-2-4-16(20)12-17-13-21(31)19-14-26-30(22(19)27-17)18-6-9-23(24,25)10-7-18/h2-5,8,11,14,18H,6-7,9-10,12-13H2,1H3
InChIKeySSGZJJYKXJLQCI-UHFFFAOYSA-N
MW423.47 g/mol
LogP5.03
Rot. Bonds4

About 1-(4,4-difluorocyclohexyl)-6-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-5H-pyrazolo[5,4-b]pyridin-4-one

1-(4,4-difluorocyclohexyl)-6-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-5H-pyrazolo[5,4-b]pyridin-4-one (PubChem CID 160923077) has the molecular formula C23H23F2N5O and a molecular weight of 423.47 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-6-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-5H-pyrazolo[5,4-b]pyridin-4-one.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-6-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-5H-pyrazolo[5,4-b]pyridin-4-one
PubChem CID160923077
Molecular FormulaC23H23F2N5O
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC Name1-(4,4-difluorocyclohexyl)-6-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-5H-pyrazolo[5,4-b]pyridin-4-one
SMILESCc1ccn(-c2ccccc2CC2=Nc3c(cnn3C3CCC(F)(F)CC3)C(=O)C2)n1
InChIInChI=1S/C23H23F2N5O/c1-15-8-11-29(28-15)20-5-3-2-4-16(20)12-17-13-21(31)19-14-26-30(22(19)27-17)18-6-9-23(24,25)10-7-18/h2-5,8,11,14,18H,6-7,9-10,12-13H2,1H3
InChIKeySSGZJJYKXJLQCI-UHFFFAOYSA-N
XLogP5.03
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.47
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(2-cyclopropylphenyl)methyl]-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-b]pyridin-4-one
CID 160769458
1-(4,4-difluorocyclohexyl)-6-[(3-methyl-2-pyridinyl)methyl]-5H-pyrazolo[5,4-b]pyridin-4-one
CID 159162308
6-[(3-bromo-4-fluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-b]pyridin-4-one
CID 58216880
1-(4,4-difluorocyclohexyl)-6-[(1S,2S)-2-(2,2-dimethylmorpholine-4-carbonyl)cyclobutyl]-5H-pyrazolo[5,4-b]pyridin-4-one
CID 58416652
N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyrimidin-2-amine
CID 133375460
[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl] 2-hydroxyacetate
CID 139300232
3-methyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 86784301
4-chloro-2-(2,4-difluorophenyl)-5-[[2-(3-methylpyrazol-1-yl)phenyl]methylamino]pyridazin-3-one
CID 133375445
N-(4,4-difluorocyclohexyl)-6-methoxy-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine
CID 139319894
N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-2-nitroaniline
CID 133375415
3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazole
CID 141068365
1,2-dimethyl-3-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 86779695

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-6-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-5H-pyrazolo[5,4-b]pyridin-4-one?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-6-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-5H-pyrazolo[5,4-b]pyridin-4-one (CID 160923077) is 1-(4,4-difluorocyclohexyl)-6-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-5H-pyrazolo[5,4-b]pyridin-4-one.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-6-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-5H-pyrazolo[5,4-b]pyridin-4-one?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-6-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-5H-pyrazolo[5,4-b]pyridin-4-one is Cc1ccn(-c2ccccc2CC2=Nc3c(cnn3C3CCC(F)(F)CC3)C(=O)C2)n1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-6-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-5H-pyrazolo[5,4-b]pyridin-4-one?
The InChIKey is SSGZJJYKXJLQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N5O/c1-15-8-11-29(28-15)20-5-3-2-4-16(20)12-17-13-21(31)19-14-26-30(22(19)27-17)18-6-9-23(24,25)10-7-18/h2-5,8,11,14,18H,6-7,9-10,12-13H2,1H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-6-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-5H-pyrazolo[5,4-b]pyridin-4-one?
1-(4,4-difluorocyclohexyl)-6-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-5H-pyrazolo[5,4-b]pyridin-4-one has a molecular weight of 423.47 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-6-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-5H-pyrazolo[5,4-b]pyridin-4-one is sourced from PubChem (CID 160923077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).