3-methyl-N-[(3-methylphenyl)methylideneamino]-6-pyridin-4-yl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide

C28H21F3N6O — CID 2423029

IUPAC3-methyl-N-[(3-methylphenyl)methylideneamino]-6-pyridin-4-yl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cccc(C=NNC(=O)c2cc(-c3ccncc3)nc3c2c(C)nn3-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C28H21F3N6O/c1-17-6-5-7-19(14-17)16-33-35-27(38)21-15-23(20-10-12-32-13-11-20)34-26-25(21)18(2)36-37(26)24-9-4-3-8-22(24)28(29,30)31/h3-16H,1-2H3,(H,35,38)
InChIKeyZWLICDZPMKHHLD-UHFFFAOYSA-N
MW514.51 g/mol
LogP5.88
Rot. Bonds5

About 3-methyl-N-[(3-methylphenyl)methylideneamino]-6-pyridin-4-yl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide

3-methyl-N-[(3-methylphenyl)methylideneamino]-6-pyridin-4-yl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 2423029) has the molecular formula C28H21F3N6O and a molecular weight of 514.51 g/mol. Its IUPAC name is 3-methyl-N-[(3-methylphenyl)methylideneamino]-6-pyridin-4-yl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(3-methylphenyl)methylideneamino]-6-pyridin-4-yl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID2423029
Molecular FormulaC28H21F3N6O
Molecular Weight514.51 g/mol
Exact Mass514.17
IUPAC Name3-methyl-N-[(3-methylphenyl)methylideneamino]-6-pyridin-4-yl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cccc(C=NNC(=O)c2cc(-c3ccncc3)nc3c2c(C)nn3-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C28H21F3N6O/c1-17-6-5-7-19(14-17)16-33-35-27(38)21-15-23(20-10-12-32-13-11-20)34-26-25(21)18(2)36-37(26)24-9-4-3-8-22(24)28(29,30)31/h3-16H,1-2H3,(H,35,38)
InChIKeyZWLICDZPMKHHLD-UHFFFAOYSA-N
XLogP5.88
TPSA85.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.51
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methyl-6-pyridin-4-yl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 5125639
1,3-dimethyl-N-[2-methyl-6-(trifluoromethyl)phenyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 167858874
1,3-dimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16606126
6-(furan-2-yl)-3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxylate
CID 7797406
N-[(3-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 690990
N-[(E)-(3-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 6880126
[3-methyl-6-phenyl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 2475261
N-[(E)-(3-methoxyphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 18275081
2-fluoro-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
CID 6907981
N-[(Z)-(3-fluorophenyl)methylideneamino]-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 5432280
N-[4-bromo-2-[[(3-methylphenyl)methylideneamino]carbamoyl]phenyl]pyridine-4-carboxamide
CID 66638175
2-amino-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
CID 87421764

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(3-methylphenyl)methylideneamino]-6-pyridin-4-yl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 3-methyl-N-[(3-methylphenyl)methylideneamino]-6-pyridin-4-yl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide (CID 2423029) is 3-methyl-N-[(3-methylphenyl)methylideneamino]-6-pyridin-4-yl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[(3-methylphenyl)methylideneamino]-6-pyridin-4-yl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3-methyl-N-[(3-methylphenyl)methylideneamino]-6-pyridin-4-yl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide is Cc1cccc(C=NNC(=O)c2cc(-c3ccncc3)nc3c2c(C)nn3-c2ccccc2C(F)(F)F)c1.
What is the InChIKey of 3-methyl-N-[(3-methylphenyl)methylideneamino]-6-pyridin-4-yl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is ZWLICDZPMKHHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F3N6O/c1-17-6-5-7-19(14-17)16-33-35-27(38)21-15-23(20-10-12-32-13-11-20)34-26-25(21)18(2)36-37(26)24-9-4-3-8-22(24)28(29,30)31/h3-16H,1-2H3,(H,35,38).
What are the key properties of 3-methyl-N-[(3-methylphenyl)methylideneamino]-6-pyridin-4-yl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
3-methyl-N-[(3-methylphenyl)methylideneamino]-6-pyridin-4-yl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 514.51 g/mol, XLogP of 5.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(3-methylphenyl)methylideneamino]-6-pyridin-4-yl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 2423029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).