5-[2-(2-nitrophenyl)acetyl]-N-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

C21H20N6O4 — CID 42874593

IUPAC5-[2-(2-nitrophenyl)acetyl]-N-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESO=C(NCc1cccnc1)c1n[nH]c2c1CN(C(=O)Cc1ccccc1[N+](=O)[O-])CC2
InChIInChI=1S/C21H20N6O4/c28-19(10-15-5-1-2-6-18(15)27(30)31)26-9-7-17-16(13-26)20(25-24-17)21(29)23-12-14-4-3-8-22-11-14/h1-6,8,11H,7,9-10,12-13H2,(H,23,29)(H,24,25)
InChIKeyWBKYKTLLUCLVOS-UHFFFAOYSA-N
MW420.43 g/mol
LogP1.77
Rot. Bonds6

About 5-[2-(2-nitrophenyl)acetyl]-N-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

5-[2-(2-nitrophenyl)acetyl]-N-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 42874593) has the molecular formula C21H20N6O4 and a molecular weight of 420.43 g/mol. Its IUPAC name is 5-[2-(2-nitrophenyl)acetyl]-N-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-(2-nitrophenyl)acetyl]-N-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID42874593
Molecular FormulaC21H20N6O4
Molecular Weight420.43 g/mol
Exact Mass420.15
IUPAC Name5-[2-(2-nitrophenyl)acetyl]-N-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESO=C(NCc1cccnc1)c1n[nH]c2c1CN(C(=O)Cc1ccccc1[N+](=O)[O-])CC2
InChIInChI=1S/C21H20N6O4/c28-19(10-15-5-1-2-6-18(15)27(30)31)26-9-7-17-16(13-26)20(25-24-17)21(29)23-12-14-4-3-8-22-11-14/h1-6,8,11H,7,9-10,12-13H2,(H,23,29)(H,24,25)
InChIKeyWBKYKTLLUCLVOS-UHFFFAOYSA-N
XLogP1.77
TPSA134.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 51.77
H-Bond Donors ≤ 52
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'}

Analyze 5-[2-(2-nitrophenyl)acetyl]-N-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-2-methylbutyl]-5-[2-(2-nitrophenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 93006001
1-[3-(4-benzylpiperazine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-(2-nitrophenyl)ethanone
CID 46075998
5-(cyclobutanecarbonyl)-N-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 42873570
N-(furan-2-ylmethyl)-5-[2-(4-nitrophenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 42876340
N-(2-methylpropyl)-5-[2-(4-nitrophenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 46075916
N-benzyl-5-[2-(3,4-dimethoxyphenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 46075959
N-cyclopropyl-5-[2-(4-nitrophenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 42874572
5-[2-(2,4-dichlorophenyl)acetyl]-N-[(3-methylphenyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 46076104
5-[2-(2-methoxyphenyl)acetyl]-N-(3-methoxypropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 46076050
5-[2-(4-methoxyphenyl)acetyl]-N-[(3-methylphenyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 46075174
4-(4-acetylpiperazin-1-yl)-3-nitro-N-(pyridin-3-ylmethyl)benzamide
CID 51192594
5-[2-(2,5-dimethoxyphenyl)acetyl]-N-[(3-methylphenyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 46076105

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-nitrophenyl)acetyl]-N-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-[2-(2-nitrophenyl)acetyl]-N-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 42874593) is 5-[2-(2-nitrophenyl)acetyl]-N-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-[2-(2-nitrophenyl)acetyl]-N-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-[2-(2-nitrophenyl)acetyl]-N-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is O=C(NCc1cccnc1)c1n[nH]c2c1CN(C(=O)Cc1ccccc1[N+](=O)[O-])CC2.
What is the InChIKey of 5-[2-(2-nitrophenyl)acetyl]-N-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is WBKYKTLLUCLVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O4/c28-19(10-15-5-1-2-6-18(15)27(30)31)26-9-7-17-16(13-26)20(25-24-17)21(29)23-12-14-4-3-8-22-11-14/h1-6,8,11H,7,9-10,12-13H2,(H,23,29)(H,24,25).
What are the key properties of 5-[2-(2-nitrophenyl)acetyl]-N-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
5-[2-(2-nitrophenyl)acetyl]-N-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 420.43 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-nitrophenyl)acetyl]-N-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 42874593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).