1,3-dimethyl-N-(2-methyl-5-nitrophenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

C22H19N5O3 — CID 43038283

IUPAC1,3-dimethyl-N-(2-methyl-5-nitrophenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C
InChIInChI=1S/C22H19N5O3/c1-13-9-10-16(27(29)30)11-18(13)24-22(28)17-12-19(15-7-5-4-6-8-15)23-21-20(17)14(2)25-26(21)3/h4-12H,1-3H3,(H,24,28)
InChIKeyNGIKDELQOJGVCJ-UHFFFAOYSA-N
MW401.43 g/mol
LogP4.41
Rot. Bonds4

About 1,3-dimethyl-N-(2-methyl-5-nitrophenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

1,3-dimethyl-N-(2-methyl-5-nitrophenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 43038283) has the molecular formula C22H19N5O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is 1,3-dimethyl-N-(2-methyl-5-nitrophenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(2-methyl-5-nitrophenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID43038283
Molecular FormulaC22H19N5O3
Molecular Weight401.43 g/mol
Exact Mass401.15
IUPAC Name1,3-dimethyl-N-(2-methyl-5-nitrophenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C
InChIInChI=1S/C22H19N5O3/c1-13-9-10-16(27(29)30)11-18(13)24-22(28)17-12-19(15-7-5-4-6-8-15)23-21-20(17)14(2)25-26(21)3/h4-12H,1-3H3,(H,24,28)
InChIKeyNGIKDELQOJGVCJ-UHFFFAOYSA-N
XLogP4.41
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-(2,5-dimethylphenyl)-6-(4-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44821562
1,3-dimethyl-N-(6-methyl-2-phenylpyrimidin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 139015887
1,3-dimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16606126
1,3-dimethyl-6-phenyl-N-(5-phenylpyrimidin-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 146090748
N-(2-hydroxyethyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 56763090
N-[4-(cyclopropanecarbonylamino)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 26064895
N-(3-chloro-4-cyanophenyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46687747
N-(3-chlorophenyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 166199194
[1-(3-nitroanilino)-1-oxopropan-2-yl] 1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46509320
1,3-dimethyl-N-(6-methylquinolin-5-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 167984793
1,3-dimethyl-N-[2-methyl-6-(trifluoromethyl)phenyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 167858874
1,3-dimethyl-N-[4-(4-methylpyrimidin-2-yl)phenyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 166207441

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(2-methyl-5-nitrophenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1,3-dimethyl-N-(2-methyl-5-nitrophenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 43038283) is 1,3-dimethyl-N-(2-methyl-5-nitrophenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-(2-methyl-5-nitrophenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-(2-methyl-5-nitrophenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C.
What is the InChIKey of 1,3-dimethyl-N-(2-methyl-5-nitrophenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is NGIKDELQOJGVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3/c1-13-9-10-16(27(29)30)11-18(13)24-22(28)17-12-19(15-7-5-4-6-8-15)23-21-20(17)14(2)25-26(21)3/h4-12H,1-3H3,(H,24,28).
What are the key properties of 1,3-dimethyl-N-(2-methyl-5-nitrophenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
1,3-dimethyl-N-(2-methyl-5-nitrophenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 401.43 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(2-methyl-5-nitrophenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 43038283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).