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

C24H21F3N4O — CID 55502784

IUPACN,1,3-trimethyl-6-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N(C)Cc3ccc(C(F)(F)F)cc3)c12
InChIInChI=1S/C24H21F3N4O/c1-15-21-19(13-20(17-7-5-4-6-8-17)28-22(21)31(3)29-15)23(32)30(2)14-16-9-11-18(12-10-16)24(25,26)27/h4-13H,14H2,1-3H3
InChIKeyYYQQXEATUXNWDI-UHFFFAOYSA-N
MW438.45 g/mol
LogP5.23
Rot. Bonds4

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

N,1,3-trimethyl-6-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55502784) has the molecular formula C24H21F3N4O and a molecular weight of 438.45 g/mol. Its IUPAC name is N,1,3-trimethyl-6-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN,1,3-trimethyl-6-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55502784
Molecular FormulaC24H21F3N4O
Molecular Weight438.45 g/mol
Exact Mass438.17
IUPAC NameN,1,3-trimethyl-6-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N(C)Cc3ccc(C(F)(F)F)cc3)c12
InChIInChI=1S/C24H21F3N4O/c1-15-21-19(13-20(17-7-5-4-6-8-17)28-22(21)31(3)29-15)23(32)30(2)14-16-9-11-18(12-10-16)24(25,26)27/h4-13H,14H2,1-3H3
InChIKeyYYQQXEATUXNWDI-UHFFFAOYSA-N
XLogP5.23
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.45
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,1,3-trimethyl-N-[(4-methylsulfanylphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 26021949
N,N-bis(2-methoxyethyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55535167
N,1,3-trimethyl-6-phenyl-N-piperidin-4-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119442612
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 17417002
N-[1-(2-methoxyphenyl)ethyl]-N,1,3-trimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46588315
N-[3-[4-(dimethylamino)phenyl]propyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55619038
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,1,3-trimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 35701623
1,3-dimethyl-6-phenyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55500881
3-[(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-propan-2-ylamino]propanoic acid
CID 120520164
N-(2-hydroxyethyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 56763090
1,3-dimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55737389
N-benzyl-N-methyl-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1113908

Frequently Asked Questions

What is the IUPAC name of N,1,3-trimethyl-6-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N,1,3-trimethyl-6-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide (CID 55502784) is N,1,3-trimethyl-6-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N,1,3-trimethyl-6-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N,1,3-trimethyl-6-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N(C)Cc3ccc(C(F)(F)F)cc3)c12.
What is the InChIKey of N,1,3-trimethyl-6-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is YYQQXEATUXNWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O/c1-15-21-19(13-20(17-7-5-4-6-8-17)28-22(21)31(3)29-15)23(32)30(2)14-16-9-11-18(12-10-16)24(25,26)27/h4-13H,14H2,1-3H3.
What are the key properties of N,1,3-trimethyl-6-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
N,1,3-trimethyl-6-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 438.45 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,3-trimethyl-6-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55502784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).