6-cyclopropyl-4-(difluoromethyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazolo[5,4-b]pyridine

C19H19F2N3 — CID 29096189

IUPAC6-cyclopropyl-4-(difluoromethyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazolo[5,4-b]pyridine
SMILESCc1ccc(Cn2nc(C)c3c(C(F)F)cc(C4CC4)nc32)cc1
InChIInChI=1S/C19H19F2N3/c1-11-3-5-13(6-4-11)10-24-19-17(12(2)23-24)15(18(20)21)9-16(22-19)14-7-8-14/h3-6,9,14,18H,7-8,10H2,1-2H3
InChIKeyJQGWEPVFESMAKW-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.91
Rot. Bonds4

About 6-cyclopropyl-4-(difluoromethyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazolo[5,4-b]pyridine

6-cyclopropyl-4-(difluoromethyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazolo[5,4-b]pyridine (PubChem CID 29096189) has the molecular formula C19H19F2N3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 6-cyclopropyl-4-(difluoromethyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-cyclopropyl-4-(difluoromethyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazolo[5,4-b]pyridine
PubChem CID29096189
Molecular FormulaC19H19F2N3
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name6-cyclopropyl-4-(difluoromethyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazolo[5,4-b]pyridine
SMILESCc1ccc(Cn2nc(C)c3c(C(F)F)cc(C4CC4)nc32)cc1
InChIInChI=1S/C19H19F2N3/c1-11-3-5-13(6-4-11)10-24-19-17(12(2)23-24)15(18(20)21)9-16(22-19)14-7-8-14/h3-6,9,14,18H,7-8,10H2,1-2H3
InChIKeyJQGWEPVFESMAKW-UHFFFAOYSA-N
XLogP4.91
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(difluoromethyl)-6-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazolo[5,4-b]pyridine
CID 29096024
1-(4-benzylpiperazin-1-yl)-2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]ethanone
CID 19499475
2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 19499591
N-(3-chloro-4-fluorophenyl)-2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19499512
N-[(2-chlorophenyl)methyl]-2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19499540
2-[4-(difluoromethyl)-3,6-dimethylpyrazolo[3,4-b]pyridin-1-yl]-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]acetamide
CID 19497277
2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-(2,4-difluorophenyl)acetamide
CID 19499506
6-(1,3-benzodioxol-5-yl)-1-benzyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridine
CID 19497762
N-(2-adamantyl)-2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19499552
1-benzyl-4-(difluoromethyl)-6-(1,3-dimethylpyrazol-4-yl)-3-methylpyrazolo[5,4-b]pyridine
CID 19497756
2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone
CID 19499621
2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]acetamide
CID 19501633

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-4-(difluoromethyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazolo[5,4-b]pyridine?
The IUPAC name of 6-cyclopropyl-4-(difluoromethyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazolo[5,4-b]pyridine (CID 29096189) is 6-cyclopropyl-4-(difluoromethyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 6-cyclopropyl-4-(difluoromethyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazolo[5,4-b]pyridine?
The canonical SMILES for 6-cyclopropyl-4-(difluoromethyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazolo[5,4-b]pyridine is Cc1ccc(Cn2nc(C)c3c(C(F)F)cc(C4CC4)nc32)cc1.
What is the InChIKey of 6-cyclopropyl-4-(difluoromethyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazolo[5,4-b]pyridine?
The InChIKey is JQGWEPVFESMAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3/c1-11-3-5-13(6-4-11)10-24-19-17(12(2)23-24)15(18(20)21)9-16(22-19)14-7-8-14/h3-6,9,14,18H,7-8,10H2,1-2H3.
What are the key properties of 6-cyclopropyl-4-(difluoromethyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazolo[5,4-b]pyridine?
6-cyclopropyl-4-(difluoromethyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazolo[5,4-b]pyridine has a molecular weight of 327.38 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-4-(difluoromethyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 29096189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).