1-(2-chlorophenyl)-3-methyl-6-pyridin-4-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

C19H12ClF3N4 — CID 23608232

IUPAC1-(2-chlorophenyl)-3-methyl-6-pyridin-4-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCc1nn(-c2ccccc2Cl)c2nc(-c3ccncc3)cc(C(F)(F)F)c12
InChIInChI=1S/C19H12ClF3N4/c1-11-17-13(19(21,22)23)10-15(12-6-8-24-9-7-12)25-18(17)27(26-11)16-5-3-2-4-14(16)20/h2-10H,1H3
InChIKeyWJHQFIFBSIKYHF-UHFFFAOYSA-N
MW388.78 g/mol
LogP5.46
Rot. Bonds2

About 1-(2-chlorophenyl)-3-methyl-6-pyridin-4-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

1-(2-chlorophenyl)-3-methyl-6-pyridin-4-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (PubChem CID 23608232) has the molecular formula C19H12ClF3N4 and a molecular weight of 388.78 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-methyl-6-pyridin-4-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-methyl-6-pyridin-4-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
PubChem CID23608232
Molecular FormulaC19H12ClF3N4
Molecular Weight388.78 g/mol
Exact Mass388.07
IUPAC Name1-(2-chlorophenyl)-3-methyl-6-pyridin-4-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCc1nn(-c2ccccc2Cl)c2nc(-c3ccncc3)cc(C(F)(F)F)c12
InChIInChI=1S/C19H12ClF3N4/c1-11-17-13(19(21,22)23)10-15(12-6-8-24-9-7-12)25-18(17)27(26-11)16-5-3-2-4-14(16)20/h2-10H,1H3
InChIKeyWJHQFIFBSIKYHF-UHFFFAOYSA-N
XLogP5.46
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.78
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 21066087
5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
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CID 736074
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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-methyl-6-pyridin-4-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 1-(2-chlorophenyl)-3-methyl-6-pyridin-4-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (CID 23608232) is 1-(2-chlorophenyl)-3-methyl-6-pyridin-4-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1-(2-chlorophenyl)-3-methyl-6-pyridin-4-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 1-(2-chlorophenyl)-3-methyl-6-pyridin-4-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is Cc1nn(-c2ccccc2Cl)c2nc(-c3ccncc3)cc(C(F)(F)F)c12.
What is the InChIKey of 1-(2-chlorophenyl)-3-methyl-6-pyridin-4-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is WJHQFIFBSIKYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF3N4/c1-11-17-13(19(21,22)23)10-15(12-6-8-24-9-7-12)25-18(17)27(26-11)16-5-3-2-4-14(16)20/h2-10H,1H3.
What are the key properties of 1-(2-chlorophenyl)-3-methyl-6-pyridin-4-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
1-(2-chlorophenyl)-3-methyl-6-pyridin-4-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 388.78 g/mol, XLogP of 5.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-methyl-6-pyridin-4-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 23608232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).