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

C21H15BrClF2N3 — CID 29090612

IUPAC6-(4-bromophenyl)-1-[(2-chlorophenyl)methyl]-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridine
SMILESCc1nn(Cc2ccccc2Cl)c2nc(-c3ccc(Br)cc3)cc(C(F)F)c12
InChIInChI=1S/C21H15BrClF2N3/c1-12-19-16(20(24)25)10-18(13-6-8-15(22)9-7-13)26-21(19)28(27-12)11-14-4-2-3-5-17(14)23/h2-10,20H,11H2,1H3
InChIKeyNHPBRXVCUSMYSM-UHFFFAOYSA-N
MW462.73 g/mol
LogP6.81
Rot. Bonds4

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

6-(4-bromophenyl)-1-[(2-chlorophenyl)methyl]-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridine (PubChem CID 29090612) has the molecular formula C21H15BrClF2N3 and a molecular weight of 462.73 g/mol. Its IUPAC name is 6-(4-bromophenyl)-1-[(2-chlorophenyl)methyl]-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-(4-bromophenyl)-1-[(2-chlorophenyl)methyl]-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridine
PubChem CID29090612
Molecular FormulaC21H15BrClF2N3
Molecular Weight462.73 g/mol
Exact Mass461.01
IUPAC Name6-(4-bromophenyl)-1-[(2-chlorophenyl)methyl]-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridine
SMILESCc1nn(Cc2ccccc2Cl)c2nc(-c3ccc(Br)cc3)cc(C(F)F)c12
InChIInChI=1S/C21H15BrClF2N3/c1-12-19-16(20(24)25)10-18(13-6-8-15(22)9-7-13)26-21(19)28(27-12)11-14-4-2-3-5-17(14)23/h2-10,20H,11H2,1H3
InChIKeyNHPBRXVCUSMYSM-UHFFFAOYSA-N
XLogP6.81
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.73
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chlorophenyl)methyl]-4-(difluoromethyl)-3-methyl-6-naphthalen-1-ylpyrazolo[5,4-b]pyridine
CID 29096252
4-(difluoromethyl)-6-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazolo[5,4-b]pyridine
CID 29096024
6-(1,3-benzodioxol-5-yl)-1-benzyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridine
CID 19497762
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
N-(3,4-dichlorophenyl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501628
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
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
N-(3-chloro-4-fluorophenyl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501644
4-[6-(4-bromophenyl)-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]benzoic acid
CID 29090418
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-(difluoromethyl)-3,6-dimethylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19497310
N-(5-chloro-2-pyridinyl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501625

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-1-[(2-chlorophenyl)methyl]-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridine?
The IUPAC name of 6-(4-bromophenyl)-1-[(2-chlorophenyl)methyl]-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridine (CID 29090612) is 6-(4-bromophenyl)-1-[(2-chlorophenyl)methyl]-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 6-(4-bromophenyl)-1-[(2-chlorophenyl)methyl]-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 6-(4-bromophenyl)-1-[(2-chlorophenyl)methyl]-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridine is Cc1nn(Cc2ccccc2Cl)c2nc(-c3ccc(Br)cc3)cc(C(F)F)c12.
What is the InChIKey of 6-(4-bromophenyl)-1-[(2-chlorophenyl)methyl]-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridine?
The InChIKey is NHPBRXVCUSMYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrClF2N3/c1-12-19-16(20(24)25)10-18(13-6-8-15(22)9-7-13)26-21(19)28(27-12)11-14-4-2-3-5-17(14)23/h2-10,20H,11H2,1H3.
What are the key properties of 6-(4-bromophenyl)-1-[(2-chlorophenyl)methyl]-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridine?
6-(4-bromophenyl)-1-[(2-chlorophenyl)methyl]-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridine has a molecular weight of 462.73 g/mol, XLogP of 6.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-1-[(2-chlorophenyl)methyl]-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 29090612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).