1-methyl-N-(oxolan-3-yl)-6-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide

C19H17F3N4O2 — CID 134800932

IUPAC1-methyl-N-(oxolan-3-yl)-6-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCn1ncc2c(C(=O)NC3CCOC3)cc(-c3cccc(C(F)(F)F)c3)nc21
InChIInChI=1S/C19H17F3N4O2/c1-26-17-15(9-23-26)14(18(27)24-13-5-6-28-10-13)8-16(25-17)11-3-2-4-12(7-11)19(20,21)22/h2-4,7-9,13H,5-6,10H2,1H3,(H,24,27)
InChIKeyWLQPYAIXTANXTN-UHFFFAOYSA-N
MW390.37 g/mol
LogP3.17
Rot. Bonds3

About 1-methyl-N-(oxolan-3-yl)-6-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide

1-methyl-N-(oxolan-3-yl)-6-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134800932) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is 1-methyl-N-(oxolan-3-yl)-6-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(oxolan-3-yl)-6-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134800932
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC Name1-methyl-N-(oxolan-3-yl)-6-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCn1ncc2c(C(=O)NC3CCOC3)cc(-c3cccc(C(F)(F)F)c3)nc21
InChIInChI=1S/C19H17F3N4O2/c1-26-17-15(9-23-26)14(18(27)24-13-5-6-28-10-13)8-16(25-17)11-3-2-4-12(7-11)19(20,21)22/h2-4,7-9,13H,5-6,10H2,1H3,(H,24,27)
InChIKeyWLQPYAIXTANXTN-UHFFFAOYSA-N
XLogP3.17
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-1-methyl-6-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134788054
N-cyclopentyl-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134803305
N-(2-fluorophenyl)-1-methyl-6-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134800727
1-methyl-N-(2-pyridin-2-ylethyl)-6-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134802627
6-(3-fluorophenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134803326
6-(4-methoxyphenyl)-1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134801357
6-(6-chloro-3-pyridinyl)-N-cyclopentyl-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134793381
N-(2-fluorophenyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134801712
6-(3-methoxyphenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134802083
6-(3-fluorophenyl)-N-(4-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134802464
N-cyclohexyl-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134804041
6-[3-[[2-(cyclopropylamino)ethyl-methylamino]methyl]phenyl]-N-(oxan-4-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 131980856

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(oxolan-3-yl)-6-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1-methyl-N-(oxolan-3-yl)-6-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide (CID 134800932) is 1-methyl-N-(oxolan-3-yl)-6-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(oxolan-3-yl)-6-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1-methyl-N-(oxolan-3-yl)-6-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide is Cn1ncc2c(C(=O)NC3CCOC3)cc(-c3cccc(C(F)(F)F)c3)nc21.
What is the InChIKey of 1-methyl-N-(oxolan-3-yl)-6-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is WLQPYAIXTANXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c1-26-17-15(9-23-26)14(18(27)24-13-5-6-28-10-13)8-16(25-17)11-3-2-4-12(7-11)19(20,21)22/h2-4,7-9,13H,5-6,10H2,1H3,(H,24,27).
What are the key properties of 1-methyl-N-(oxolan-3-yl)-6-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
1-methyl-N-(oxolan-3-yl)-6-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 390.37 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(oxolan-3-yl)-6-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134800932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).