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

C19H16F3N5 — CID 19497839

IUPAC1-benzyl-3-methyl-6-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCc1nn(Cc2ccccc2)c2nc(-c3cnn(C)c3)cc(C(F)(F)F)c12
InChIInChI=1S/C19H16F3N5/c1-12-17-15(19(20,21)22)8-16(14-9-23-26(2)11-14)24-18(17)27(25-12)10-13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3
InChIKeyRZZNYIHOSAUIEF-UHFFFAOYSA-N
MW371.37 g/mol
LogP4.21
Rot. Bonds3

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

1-benzyl-3-methyl-6-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (PubChem CID 19497839) has the molecular formula C19H16F3N5 and a molecular weight of 371.37 g/mol. Its IUPAC name is 1-benzyl-3-methyl-6-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1-benzyl-3-methyl-6-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
PubChem CID19497839
Molecular FormulaC19H16F3N5
Molecular Weight371.37 g/mol
Exact Mass371.14
IUPAC Name1-benzyl-3-methyl-6-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCc1nn(Cc2ccccc2)c2nc(-c3cnn(C)c3)cc(C(F)(F)F)c12
InChIInChI=1S/C19H16F3N5/c1-12-17-15(19(20,21)22)8-16(14-9-23-26(2)11-14)24-18(17)27(25-12)10-13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3
InChIKeyRZZNYIHOSAUIEF-UHFFFAOYSA-N
XLogP4.21
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methyl-6-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 1-benzyl-3-methyl-6-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (CID 19497839) is 1-benzyl-3-methyl-6-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1-benzyl-3-methyl-6-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 1-benzyl-3-methyl-6-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is Cc1nn(Cc2ccccc2)c2nc(-c3cnn(C)c3)cc(C(F)(F)F)c12.
What is the InChIKey of 1-benzyl-3-methyl-6-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is RZZNYIHOSAUIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5/c1-12-17-15(19(20,21)22)8-16(14-9-23-26(2)11-14)24-18(17)27(25-12)10-13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3.
What are the key properties of 1-benzyl-3-methyl-6-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
1-benzyl-3-methyl-6-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 371.37 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methyl-6-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 19497839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).