N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide

C19H16Cl2N6O — CID 78839440

IUPACN-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)Nc3ccnn3Cc3ccc(Cl)cc3Cl)cc12
InChIInChI=1S/C19H16Cl2N6O/c1-11-15-7-13(9-22-18(15)26(2)25-11)19(28)24-17-5-6-23-27(17)10-12-3-4-14(20)8-16(12)21/h3-9H,10H2,1-2H3,(H,24,28)
InChIKeyUEVYAFQWJSJMIH-UHFFFAOYSA-N
MW415.28 g/mol
LogP4.08
Rot. Bonds4

About N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide

N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 78839440) has the molecular formula C19H16Cl2N6O and a molecular weight of 415.28 g/mol. Its IUPAC name is N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID78839440
Molecular FormulaC19H16Cl2N6O
Molecular Weight415.28 g/mol
Exact Mass414.08
IUPAC NameN-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)Nc3ccnn3Cc3ccc(Cl)cc3Cl)cc12
InChIInChI=1S/C19H16Cl2N6O/c1-11-15-7-13(9-22-18(15)26(2)25-11)19(28)24-17-5-6-23-27(17)10-12-3-4-14(20)8-16(12)21/h3-9H,10H2,1-2H3,(H,24,28)
InChIKeyUEVYAFQWJSJMIH-UHFFFAOYSA-N
XLogP4.08
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.28
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]pyrazine-2-carboxamide
CID 16567956
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55820641
2-chloro-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4,5-difluorobenzamide
CID 55435501
N-(3-chloro-4-cyanophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78839832
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,4,5-trimethoxybenzamide
CID 55435526
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methoxyacetamide
CID 47020457
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methyl-5-methylsulfonylbenzamide
CID 16568046
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 16568052
2-chloro-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-6-fluorobenzamide
CID 55435457
N-[2-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]pyridine-3-carboxamide
CID 5302832
methyl 4-chloro-3-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]benzoate
CID 78839848
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 55811504

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide (CID 78839440) is N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide is Cc1nn(C)c2ncc(C(=O)Nc3ccnn3Cc3ccc(Cl)cc3Cl)cc12.
What is the InChIKey of N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is UEVYAFQWJSJMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N6O/c1-11-15-7-13(9-22-18(15)26(2)25-11)19(28)24-17-5-6-23-27(17)10-12-3-4-14(20)8-16(12)21/h3-9H,10H2,1-2H3,(H,24,28).
What are the key properties of N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 415.28 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 78839440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).