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

C19H11Cl2F3N4 — CID 17308117

IUPAC1-(3,4-dichlorophenyl)-3-methyl-6-pyridin-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCc1nn(-c2ccc(Cl)c(Cl)c2)c2nc(-c3ccccn3)cc(C(F)(F)F)c12
InChIInChI=1S/C19H11Cl2F3N4/c1-10-17-12(19(22,23)24)9-16(15-4-2-3-7-25-15)26-18(17)28(27-10)11-5-6-13(20)14(21)8-11/h2-9H,1H3
InChIKeyXGZINYYAOKKCRZ-UHFFFAOYSA-N
MW423.23 g/mol
LogP6.12
Rot. Bonds2

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

1-(3,4-dichlorophenyl)-3-methyl-6-pyridin-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (PubChem CID 17308117) has the molecular formula C19H11Cl2F3N4 and a molecular weight of 423.23 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-methyl-6-pyridin-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-methyl-6-pyridin-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
PubChem CID17308117
Molecular FormulaC19H11Cl2F3N4
Molecular Weight423.23 g/mol
Exact Mass422.03
IUPAC Name1-(3,4-dichlorophenyl)-3-methyl-6-pyridin-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCc1nn(-c2ccc(Cl)c(Cl)c2)c2nc(-c3ccccn3)cc(C(F)(F)F)c12
InChIInChI=1S/C19H11Cl2F3N4/c1-10-17-12(19(22,23)24)9-16(15-4-2-3-7-25-15)26-18(17)28(27-10)11-5-6-13(20)14(21)8-11/h2-9H,1H3
InChIKeyXGZINYYAOKKCRZ-UHFFFAOYSA-N
XLogP6.12
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.23
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,4-dichlorophenyl)-1-(3,4-dichlorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308101
1-(3,4-dichlorophenyl)-6-(4-hexoxyphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308119
6-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 29090878
1-(4-bromophenyl)-3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308004
6,10-dimethyl-4,12-diphenyl-8-pyridin-2-yl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene
CID 11165952
6-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3-methyl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17307964
N-(2-chlorophenyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50791456
3-methyl-1-(4-nitrophenyl)-6-pyridin-4-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308050
1-(4-bromophenyl)-3-methyl-4,6-bis(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308003
1-(3-chloro-4-methylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridine
CID 17308035
6-(4-fluorophenyl)-3-methyl-1-(4-nitrophenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308052
3-methyl-6-(4-methylpiperazin-1-yl)-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 3585431

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-methyl-6-pyridin-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-methyl-6-pyridin-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (CID 17308117) is 1-(3,4-dichlorophenyl)-3-methyl-6-pyridin-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-methyl-6-pyridin-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-methyl-6-pyridin-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is Cc1nn(-c2ccc(Cl)c(Cl)c2)c2nc(-c3ccccn3)cc(C(F)(F)F)c12.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-methyl-6-pyridin-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is XGZINYYAOKKCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2F3N4/c1-10-17-12(19(22,23)24)9-16(15-4-2-3-7-25-15)26-18(17)28(27-10)11-5-6-13(20)14(21)8-11/h2-9H,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-3-methyl-6-pyridin-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
1-(3,4-dichlorophenyl)-3-methyl-6-pyridin-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 423.23 g/mol, XLogP of 6.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-methyl-6-pyridin-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 17308117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).