N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

C23H25N7O3 — CID 55508078

IUPACN-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(NC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)n(-c2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C23H25N7O3/c1-13(2)20-11-18(19-12-24-28(14(3)4)22(19)25-20)23(31)26-21-10-15(5)27-29(21)16-6-8-17(9-7-16)30(32)33/h6-14H,1-5H3,(H,26,31)
InChIKeyXXSOGFKOPURHKL-UHFFFAOYSA-N
MW447.50 g/mol
LogP4.79
Rot. Bonds6

About N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55508078) has the molecular formula C23H25N7O3 and a molecular weight of 447.50 g/mol. Its IUPAC name is N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55508078
Molecular FormulaC23H25N7O3
Molecular Weight447.50 g/mol
Exact Mass447.20
IUPAC NameN-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(NC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)n(-c2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C23H25N7O3/c1-13(2)20-11-18(19-12-24-28(14(3)4)22(19)25-20)23(31)26-21-10-15(5)27-29(21)16-6-8-17(9-7-16)30(32)33/h6-14H,1-5H3,(H,26,31)
InChIKeyXXSOGFKOPURHKL-UHFFFAOYSA-N
XLogP4.79
TPSA120.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

6-(furan-2-yl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55502737
2-methyl-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]quinoline-4-carboxamide
CID 55507906
N-methyl-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 17469136
N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55556612
1,3,6-trimethyl-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 55520418
3,5-dimethyl-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]benzamide
CID 55520402
N-(2,4-dimethylphenyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 30426277
4-bromo-2-methyl-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]benzamide
CID 112845068
N,1,6-tri(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 27648180
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 30438173
N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-4-methylsulfanylbenzamide
CID 78837818
(E)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-3-(4-nitrophenyl)prop-2-enamide
CID 55519678

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 55508078) is N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(NC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)n(-c2ccc([N+](=O)[O-])cc2)n1.
What is the InChIKey of N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is XXSOGFKOPURHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O3/c1-13(2)20-11-18(19-12-24-28(14(3)4)22(19)25-20)23(31)26-21-10-15(5)27-29(21)16-6-8-17(9-7-16)30(32)33/h6-14H,1-5H3,(H,26,31).
What are the key properties of N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 447.50 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55508078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).