1-[(2-chlorophenyl)methyl]-4-(difluoromethyl)-3-methyl-6-naphthalen-1-ylpyrazolo[5,4-b]pyridine

C25H18ClF2N3 — CID 29096252

IUPAC1-[(2-chlorophenyl)methyl]-4-(difluoromethyl)-3-methyl-6-naphthalen-1-ylpyrazolo[5,4-b]pyridine
SMILESCc1nn(Cc2ccccc2Cl)c2nc(-c3cccc4ccccc34)cc(C(F)F)c12
InChIInChI=1S/C25H18ClF2N3/c1-15-23-20(24(27)28)13-22(19-11-6-9-16-7-2-4-10-18(16)19)29-25(23)31(30-15)14-17-8-3-5-12-21(17)26/h2-13,24H,14H2,1H3
InChIKeyDKKIFKVUIZKEOW-UHFFFAOYSA-N
MW433.89 g/mol
LogP7.20
Rot. Bonds4

About 1-[(2-chlorophenyl)methyl]-4-(difluoromethyl)-3-methyl-6-naphthalen-1-ylpyrazolo[5,4-b]pyridine

1-[(2-chlorophenyl)methyl]-4-(difluoromethyl)-3-methyl-6-naphthalen-1-ylpyrazolo[5,4-b]pyridine (PubChem CID 29096252) has the molecular formula C25H18ClF2N3 and a molecular weight of 433.89 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-4-(difluoromethyl)-3-methyl-6-naphthalen-1-ylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-4-(difluoromethyl)-3-methyl-6-naphthalen-1-ylpyrazolo[5,4-b]pyridine
PubChem CID29096252
Molecular FormulaC25H18ClF2N3
Molecular Weight433.89 g/mol
Exact Mass433.12
IUPAC Name1-[(2-chlorophenyl)methyl]-4-(difluoromethyl)-3-methyl-6-naphthalen-1-ylpyrazolo[5,4-b]pyridine
SMILESCc1nn(Cc2ccccc2Cl)c2nc(-c3cccc4ccccc34)cc(C(F)F)c12
InChIInChI=1S/C25H18ClF2N3/c1-15-23-20(24(27)28)13-22(19-11-6-9-16-7-2-4-10-18(16)19)29-25(23)31(30-15)14-17-8-3-5-12-21(17)26/h2-13,24H,14H2,1H3
InChIKeyDKKIFKVUIZKEOW-UHFFFAOYSA-N
XLogP7.20
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.89
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-bromophenyl)-1-[(2-chlorophenyl)methyl]-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridine
CID 29090612
1-benzyl-4-(difluoromethyl)-6-(1,3-dimethylpyrazol-4-yl)-3-methylpyrazolo[5,4-b]pyridine
CID 19497756
N-[(2-chlorophenyl)methyl]-2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19499540
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-(difluoromethyl)-3,6-dimethylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19497310
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19503595
6-(1,3-benzodioxol-5-yl)-1-benzyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridine
CID 19497762
4-(difluoromethyl)-6-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazolo[5,4-b]pyridine
CID 29096024
2-[4,6-bis(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]acetamide
CID 19499243
N-(3-chlorophenyl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501703
N-(2,6-dichlorophenyl)-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19499756
N-(3,4-dichlorophenyl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501628
6-cyclopropyl-4-(difluoromethyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazolo[5,4-b]pyridine
CID 29096189

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-4-(difluoromethyl)-3-methyl-6-naphthalen-1-ylpyrazolo[5,4-b]pyridine?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-4-(difluoromethyl)-3-methyl-6-naphthalen-1-ylpyrazolo[5,4-b]pyridine (CID 29096252) is 1-[(2-chlorophenyl)methyl]-4-(difluoromethyl)-3-methyl-6-naphthalen-1-ylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-4-(difluoromethyl)-3-methyl-6-naphthalen-1-ylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-4-(difluoromethyl)-3-methyl-6-naphthalen-1-ylpyrazolo[5,4-b]pyridine is Cc1nn(Cc2ccccc2Cl)c2nc(-c3cccc4ccccc34)cc(C(F)F)c12.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-4-(difluoromethyl)-3-methyl-6-naphthalen-1-ylpyrazolo[5,4-b]pyridine?
The InChIKey is DKKIFKVUIZKEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClF2N3/c1-15-23-20(24(27)28)13-22(19-11-6-9-16-7-2-4-10-18(16)19)29-25(23)31(30-15)14-17-8-3-5-12-21(17)26/h2-13,24H,14H2,1H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-4-(difluoromethyl)-3-methyl-6-naphthalen-1-ylpyrazolo[5,4-b]pyridine?
1-[(2-chlorophenyl)methyl]-4-(difluoromethyl)-3-methyl-6-naphthalen-1-ylpyrazolo[5,4-b]pyridine has a molecular weight of 433.89 g/mol, XLogP of 7.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-4-(difluoromethyl)-3-methyl-6-naphthalen-1-ylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 29096252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).