6-(4-chlorophenyl)-N-[(Z)-1-(3,5-dimethyl-4-nitropyrazol-1-yl)propan-2-ylideneamino]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

C23H23ClN8O3 — CID 51619052

IUPAC6-(4-chlorophenyl)-N-[(Z)-1-(3,5-dimethyl-4-nitropyrazol-1-yl)propan-2-ylideneamino]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESC/C(Cn1nc(C)c([N+](=O)[O-])c1C)=N/NC(=O)c1cc(-c2ccc(Cl)cc2)nc2c1c(C)nn2C
InChIInChI=1S/C23H23ClN8O3/c1-12(11-31-15(4)21(32(34)35)14(3)29-31)26-27-23(33)18-10-19(16-6-8-17(24)9-7-16)25-22-20(18)13(2)28-30(22)5/h6-10H,11H2,1-5H3,(H,27,33)/b26-12-
InChIKeyXVCTTXKHGIOHCI-ZRGSRPPYSA-N
MW494.94 g/mol
LogP4.12
Rot. Bonds6

About 6-(4-chlorophenyl)-N-[(Z)-1-(3,5-dimethyl-4-nitropyrazol-1-yl)propan-2-ylideneamino]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

6-(4-chlorophenyl)-N-[(Z)-1-(3,5-dimethyl-4-nitropyrazol-1-yl)propan-2-ylideneamino]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 51619052) has the molecular formula C23H23ClN8O3 and a molecular weight of 494.94 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-[(Z)-1-(3,5-dimethyl-4-nitropyrazol-1-yl)propan-2-ylideneamino]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-[(Z)-1-(3,5-dimethyl-4-nitropyrazol-1-yl)propan-2-ylideneamino]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID51619052
Molecular FormulaC23H23ClN8O3
Molecular Weight494.94 g/mol
Exact Mass494.16
IUPAC Name6-(4-chlorophenyl)-N-[(Z)-1-(3,5-dimethyl-4-nitropyrazol-1-yl)propan-2-ylideneamino]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESC/C(Cn1nc(C)c([N+](=O)[O-])c1C)=N/NC(=O)c1cc(-c2ccc(Cl)cc2)nc2c1c(C)nn2C
InChIInChI=1S/C23H23ClN8O3/c1-12(11-31-15(4)21(32(34)35)14(3)29-31)26-27-23(33)18-10-19(16-6-8-17(24)9-7-16)25-22-20(18)13(2)28-30(22)5/h6-10H,11H2,1-5H3,(H,27,33)/b26-12-
InChIKeyXVCTTXKHGIOHCI-ZRGSRPPYSA-N
XLogP4.12
TPSA133.13 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.94
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-ylideneamino]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 71835575
2-(4-chlorophenyl)-N'-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]quinoline-4-carbohydrazide
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N-(1-ethyl-5-methylpyrazol-4-yl)-1,3-dimethyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 44821435
1,3-dimethyl-N-(2-methyl-5-nitrophenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 43038283
4-chloro-N-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]benzamide
CID 4862890
N-(3-chlorophenyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 166199194
N-(2,5-dimethylphenyl)-6-(4-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44821562
N-(2-hydroxyethyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 56763090
2-chloro-N-[(Z)-1-(5-methyl-3-nitropyrazol-1-yl)propan-2-ylideneamino]benzamide
CID 6153464
[2-[(E)-N-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]-C-methylcarbonimidoyl]phenyl] 4-chlorobenzoate
CID 19659864
N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 51852899
N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 51852900

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N-[(Z)-1-(3,5-dimethyl-4-nitropyrazol-1-yl)propan-2-ylideneamino]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-N-[(Z)-1-(3,5-dimethyl-4-nitropyrazol-1-yl)propan-2-ylideneamino]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 51619052) is 6-(4-chlorophenyl)-N-[(Z)-1-(3,5-dimethyl-4-nitropyrazol-1-yl)propan-2-ylideneamino]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-N-[(Z)-1-(3,5-dimethyl-4-nitropyrazol-1-yl)propan-2-ylideneamino]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-N-[(Z)-1-(3,5-dimethyl-4-nitropyrazol-1-yl)propan-2-ylideneamino]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is C/C(Cn1nc(C)c([N+](=O)[O-])c1C)=N/NC(=O)c1cc(-c2ccc(Cl)cc2)nc2c1c(C)nn2C.
What is the InChIKey of 6-(4-chlorophenyl)-N-[(Z)-1-(3,5-dimethyl-4-nitropyrazol-1-yl)propan-2-ylideneamino]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is XVCTTXKHGIOHCI-ZRGSRPPYSA-N. The full InChI is InChI=1S/C23H23ClN8O3/c1-12(11-31-15(4)21(32(34)35)14(3)29-31)26-27-23(33)18-10-19(16-6-8-17(24)9-7-16)25-22-20(18)13(2)28-30(22)5/h6-10H,11H2,1-5H3,(H,27,33)/b26-12-.
What are the key properties of 6-(4-chlorophenyl)-N-[(Z)-1-(3,5-dimethyl-4-nitropyrazol-1-yl)propan-2-ylideneamino]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-(4-chlorophenyl)-N-[(Z)-1-(3,5-dimethyl-4-nitropyrazol-1-yl)propan-2-ylideneamino]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 494.94 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-[(Z)-1-(3,5-dimethyl-4-nitropyrazol-1-yl)propan-2-ylideneamino]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 51619052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).