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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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).