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

C19H20F2N4O — CID 159162308

IUPAC1-(4,4-difluorocyclohexyl)-6-[(3-methyl-2-pyridinyl)methyl]-5H-pyrazolo[5,4-b]pyridin-4-one
SMILESCc1cccnc1CC1=Nc2c(cnn2C2CCC(F)(F)CC2)C(=O)C1
InChIInChI=1S/C19H20F2N4O/c1-12-3-2-8-22-16(12)9-13-10-17(26)15-11-23-25(18(15)24-13)14-4-6-19(20,21)7-5-14/h2-3,8,11,14H,4-7,9-10H2,1H3
InChIKeyKKQKEONOPFBSJL-UHFFFAOYSA-N
MW358.39 g/mol
LogP4.24
Rot. Bonds3

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

1-(4,4-difluorocyclohexyl)-6-[(3-methyl-2-pyridinyl)methyl]-5H-pyrazolo[5,4-b]pyridin-4-one (PubChem CID 159162308) has the molecular formula C19H20F2N4O and a molecular weight of 358.39 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-6-[(3-methyl-2-pyridinyl)methyl]-5H-pyrazolo[5,4-b]pyridin-4-one.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-6-[(3-methyl-2-pyridinyl)methyl]-5H-pyrazolo[5,4-b]pyridin-4-one
PubChem CID159162308
Molecular FormulaC19H20F2N4O
Molecular Weight358.39 g/mol
Exact Mass358.16
IUPAC Name1-(4,4-difluorocyclohexyl)-6-[(3-methyl-2-pyridinyl)methyl]-5H-pyrazolo[5,4-b]pyridin-4-one
SMILESCc1cccnc1CC1=Nc2c(cnn2C2CCC(F)(F)CC2)C(=O)C1
InChIInChI=1S/C19H20F2N4O/c1-12-3-2-8-22-16(12)9-13-10-17(26)15-11-23-25(18(15)24-13)14-4-6-19(20,21)7-5-14/h2-3,8,11,14H,4-7,9-10H2,1H3
InChIKeyKKQKEONOPFBSJL-UHFFFAOYSA-N
XLogP4.24
TPSA60.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4,4-difluorocyclohexyl)-6-[(3-methyl-2-pyridinyl)methyl]-5H-pyrazolo[5,4-b]pyridin-4-one with MolForge

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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-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-5H-pyrazolo[5,4-b]pyridin-4-one
CID 160923077
1-(4,4-difluorocyclohexyl)-6-[(1S,2S)-2-(2,2-dimethylmorpholine-4-carbonyl)cyclobutyl]-5H-pyrazolo[5,4-b]pyridin-4-one
CID 58416652
5-(4,4-difluorocyclohexyl)-8-methyl-2-oxa-5,8,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-9-one
CID 162799947
1-(4,4-difluorocyclohexyl)-6-[(2R)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137100342
2-(cyclopropylmethyl)-3-methylpyridine
CID 130382074
1-(3,3-dimethylcyclopentyl)-4-(3-methyl-2-pyridinyl)piperazine
CID 146039121
6-butyl-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4,4-difluorocyclohexyl)-4-methylidene-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-b]pyridine;6-[(3,5-difluorophenyl)methyl]-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-propyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 160949638
N-[(3-methyl-2-pyridinyl)methyl]cyclobutanamine
CID 63305574
1-[(3-methyl-2-pyridinyl)methyl]piperidine-2,4-dione
CID 79517939
1-[(3-methyl-2-pyridinyl)methyl]-1,3-diazinane-2,4,6-trione
CID 112597998
1-cyclopropyl-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 63305633

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-6-[(3-methyl-2-pyridinyl)methyl]-5H-pyrazolo[5,4-b]pyridin-4-one?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-6-[(3-methyl-2-pyridinyl)methyl]-5H-pyrazolo[5,4-b]pyridin-4-one (CID 159162308) is 1-(4,4-difluorocyclohexyl)-6-[(3-methyl-2-pyridinyl)methyl]-5H-pyrazolo[5,4-b]pyridin-4-one.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-6-[(3-methyl-2-pyridinyl)methyl]-5H-pyrazolo[5,4-b]pyridin-4-one?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-6-[(3-methyl-2-pyridinyl)methyl]-5H-pyrazolo[5,4-b]pyridin-4-one is Cc1cccnc1CC1=Nc2c(cnn2C2CCC(F)(F)CC2)C(=O)C1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-6-[(3-methyl-2-pyridinyl)methyl]-5H-pyrazolo[5,4-b]pyridin-4-one?
The InChIKey is KKQKEONOPFBSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O/c1-12-3-2-8-22-16(12)9-13-10-17(26)15-11-23-25(18(15)24-13)14-4-6-19(20,21)7-5-14/h2-3,8,11,14H,4-7,9-10H2,1H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-6-[(3-methyl-2-pyridinyl)methyl]-5H-pyrazolo[5,4-b]pyridin-4-one?
1-(4,4-difluorocyclohexyl)-6-[(3-methyl-2-pyridinyl)methyl]-5H-pyrazolo[5,4-b]pyridin-4-one has a molecular weight of 358.39 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-6-[(3-methyl-2-pyridinyl)methyl]-5H-pyrazolo[5,4-b]pyridin-4-one is sourced from PubChem (CID 159162308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).