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

C20H15F3N6O — CID 5125639

IUPAC3-methyl-6-pyridin-4-yl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carbohydrazide
SMILESCc1nn(-c2ccccc2C(F)(F)F)c2nc(-c3ccncc3)cc(C(=O)NN)c12
InChIInChI=1S/C20H15F3N6O/c1-11-17-13(19(30)27-24)10-15(12-6-8-25-9-7-12)26-18(17)29(28-11)16-5-3-2-4-14(16)20(21,22)23/h2-10H,24H2,1H3,(H,27,30)
InChIKeySSLGMANPTFNZET-UHFFFAOYSA-N
MW412.38 g/mol
LogP3.41
Rot. Bonds3

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

3-methyl-6-pyridin-4-yl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carbohydrazide (PubChem CID 5125639) has the molecular formula C20H15F3N6O and a molecular weight of 412.38 g/mol. Its IUPAC name is 3-methyl-6-pyridin-4-yl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carbohydrazide.

Molecular Properties

Compound Name3-methyl-6-pyridin-4-yl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carbohydrazide
PubChem CID5125639
Molecular FormulaC20H15F3N6O
Molecular Weight412.38 g/mol
Exact Mass412.13
IUPAC Name3-methyl-6-pyridin-4-yl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carbohydrazide
SMILESCc1nn(-c2ccccc2C(F)(F)F)c2nc(-c3ccncc3)cc(C(=O)NN)c12
InChIInChI=1S/C20H15F3N6O/c1-11-17-13(19(30)27-24)10-15(12-6-8-25-9-7-12)26-18(17)29(28-11)16-5-3-2-4-14(16)20(21,22)23/h2-10H,24H2,1H3,(H,27,30)
InChIKeySSLGMANPTFNZET-UHFFFAOYSA-N
XLogP3.41
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.38
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[(3-methylphenyl)methylideneamino]-6-pyridin-4-yl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 2423029
[3-methyl-6-phenyl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 2475261
6-(furan-2-yl)-3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxylate
CID 7797406
1,3-dimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16606126
5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carbohydrazide
CID 82528028
1,3-dimethyl-N-[2-methyl-6-(trifluoromethyl)phenyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 167858874
3-methyl-1-(4-nitrophenyl)-6-pyridin-4-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308050
1,3-dimethyl-6-pyridin-4-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 16782401
1,3-dimethyl-6-phenyl-N-(1-pyridin-4-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 51322660
3-methyl-1-(4-methylphenyl)-N-methylsulfonyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 146154556
N-(3-chlorophenyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 166199194
8-chloro-2-pyridin-4-yl-N-[2-(trifluoromethyl)phenyl]quinoline-4-carboxamide
CID 2220619

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-pyridin-4-yl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carbohydrazide?
The IUPAC name of 3-methyl-6-pyridin-4-yl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carbohydrazide (CID 5125639) is 3-methyl-6-pyridin-4-yl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carbohydrazide.
What is the SMILES notation for 3-methyl-6-pyridin-4-yl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carbohydrazide?
The canonical SMILES for 3-methyl-6-pyridin-4-yl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carbohydrazide is Cc1nn(-c2ccccc2C(F)(F)F)c2nc(-c3ccncc3)cc(C(=O)NN)c12.
What is the InChIKey of 3-methyl-6-pyridin-4-yl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carbohydrazide?
The InChIKey is SSLGMANPTFNZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N6O/c1-11-17-13(19(30)27-24)10-15(12-6-8-25-9-7-12)26-18(17)29(28-11)16-5-3-2-4-14(16)20(21,22)23/h2-10H,24H2,1H3,(H,27,30).
What are the key properties of 3-methyl-6-pyridin-4-yl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carbohydrazide?
3-methyl-6-pyridin-4-yl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carbohydrazide has a molecular weight of 412.38 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-pyridin-4-yl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carbohydrazide is sourced from PubChem (CID 5125639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).