1-[(4-chlorophenyl)methyl]-3-methyl-6-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

C19H15ClF3N5 — CID 29091183

IUPAC1-[(4-chlorophenyl)methyl]-3-methyl-6-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCc1nn(Cc2ccc(Cl)cc2)c2nc(-c3cnn(C)c3)cc(C(F)(F)F)c12
InChIInChI=1S/C19H15ClF3N5/c1-11-17-15(19(21,22)23)7-16(13-8-24-27(2)10-13)25-18(17)28(26-11)9-12-3-5-14(20)6-4-12/h3-8,10H,9H2,1-2H3
InChIKeyWPAKDCNIHUBFFJ-UHFFFAOYSA-N
MW405.81 g/mol
LogP4.86
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-3-methyl-6-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

1-[(4-chlorophenyl)methyl]-3-methyl-6-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (PubChem CID 29091183) has the molecular formula C19H15ClF3N5 and a molecular weight of 405.81 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-methyl-6-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-methyl-6-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
PubChem CID29091183
Molecular FormulaC19H15ClF3N5
Molecular Weight405.81 g/mol
Exact Mass405.10
IUPAC Name1-[(4-chlorophenyl)methyl]-3-methyl-6-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCc1nn(Cc2ccc(Cl)cc2)c2nc(-c3cnn(C)c3)cc(C(F)(F)F)c12
InChIInChI=1S/C19H15ClF3N5/c1-11-17-15(19(21,22)23)7-16(13-8-24-27(2)10-13)25-18(17)28(26-11)9-12-3-5-14(20)6-4-12/h3-8,10H,9H2,1-2H3
InChIKeyWPAKDCNIHUBFFJ-UHFFFAOYSA-N
XLogP4.86
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.81
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-chlorophenyl)methyl]-6-(1-ethyl-5-methylpyrazol-4-yl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 29096413
1-benzyl-3-methyl-6-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 19497825
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 29091271
4-[1-benzyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]phenol
CID 135562179
1-benzyl-6-(4-tert-butylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 19497836
1-benzyl-6-(5-chlorothiophen-2-yl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 19497818
1-benzyl-3-methyl-6-(5-methylthiophen-2-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 19497817
3-methyl-6-(4-methylphenyl)-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 19497858
6-(1-ethylpyrazol-4-yl)-1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 19497806
6-ethyl-3-methyl-1-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine
CID 29091523
6-(4-tert-butylphenyl)-1-ethyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 19585668
6-(4-tert-butylphenyl)-3-methyl-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 19497870

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-methyl-6-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-methyl-6-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (CID 29091183) is 1-[(4-chlorophenyl)methyl]-3-methyl-6-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-methyl-6-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-methyl-6-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is Cc1nn(Cc2ccc(Cl)cc2)c2nc(-c3cnn(C)c3)cc(C(F)(F)F)c12.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-methyl-6-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is WPAKDCNIHUBFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N5/c1-11-17-15(19(21,22)23)7-16(13-8-24-27(2)10-13)25-18(17)28(26-11)9-12-3-5-14(20)6-4-12/h3-8,10H,9H2,1-2H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-methyl-6-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
1-[(4-chlorophenyl)methyl]-3-methyl-6-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 405.81 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-methyl-6-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 29091183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).