6-(2H-benzotriazole-5-carbonyl)-N-[2-(4-nitrophenyl)ethyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide

C22H20N8O4 — CID 46940808

IUPAC6-(2H-benzotriazole-5-carbonyl)-N-[2-(4-nitrophenyl)ethyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESO=C(NCCc1ccc([N+](=O)[O-])cc1)c1n[nH]c2c1CCN(C(=O)c1ccc3n[nH]nc3c1)C2
InChIInChI=1S/C22H20N8O4/c31-21(23-9-7-13-1-4-15(5-2-13)30(33)34)20-16-8-10-29(12-19(16)24-27-20)22(32)14-3-6-17-18(11-14)26-28-25-17/h1-6,11H,7-10,12H2,(H,23,31)(H,24,27)(H,25,26,28)
InChIKeyFAWMVMFKDVUYSR-UHFFFAOYSA-N
MW460.45 g/mol
LogP1.76
Rot. Bonds6

About 6-(2H-benzotriazole-5-carbonyl)-N-[2-(4-nitrophenyl)ethyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide

6-(2H-benzotriazole-5-carbonyl)-N-[2-(4-nitrophenyl)ethyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 46940808) has the molecular formula C22H20N8O4 and a molecular weight of 460.45 g/mol. Its IUPAC name is 6-(2H-benzotriazole-5-carbonyl)-N-[2-(4-nitrophenyl)ethyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2H-benzotriazole-5-carbonyl)-N-[2-(4-nitrophenyl)ethyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID46940808
Molecular FormulaC22H20N8O4
Molecular Weight460.45 g/mol
Exact Mass460.16
IUPAC Name6-(2H-benzotriazole-5-carbonyl)-N-[2-(4-nitrophenyl)ethyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESO=C(NCCc1ccc([N+](=O)[O-])cc1)c1n[nH]c2c1CCN(C(=O)c1ccc3n[nH]nc3c1)C2
InChIInChI=1S/C22H20N8O4/c31-21(23-9-7-13-1-4-15(5-2-13)30(33)34)20-16-8-10-29(12-19(16)24-27-20)22(32)14-3-6-17-18(11-14)26-28-25-17/h1-6,11H,7-10,12H2,(H,23,31)(H,24,27)(H,25,26,28)
InChIKeyFAWMVMFKDVUYSR-UHFFFAOYSA-N
XLogP1.76
TPSA162.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.45
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-(2H-benzotriazole-5-carbonyl)-N-[2-(4-nitrophenyl)ethyl]-1,4,5,7-tetrahydropyrazolo[5,4-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

6-(2H-benzotriazole-5-carbonyl)-N-[(4-chloro-2-fluorophenyl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 46940811
N-cyclopropyl-5-[2-(4-nitrophenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 42874572
N-(2-methylpropyl)-5-[2-(4-nitrophenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 46075916
N-(furan-2-ylmethyl)-5-[2-(4-nitrophenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 42876340
N-[2-(3-fluorophenyl)ethyl]-6-(5-methyl-1,2-oxazole-3-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide;formic acid
CID 171322122
N-(2-naphthalen-2-ylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112821536
5-[2-(3,4-dichlorophenyl)acetyl]-N-(2-phenylethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 46079356
5-[2-(4-methoxyphenyl)acetyl]-N-[2-(4-methoxyphenyl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 46079385
3-amino-N-[2-(4-nitrophenyl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 62793855
N-[2-(4-nitrophenyl)ethyl]pyridine-3-carboxamide
CID 110294457
5-[4-(2-chloroethyl)benzoyl]-N-[(2R)-2-methylbutyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 93005994
methyl 6-[4-(trifluoromethyl)benzoyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 84581682

Frequently Asked Questions

What is the IUPAC name of 6-(2H-benzotriazole-5-carbonyl)-N-[2-(4-nitrophenyl)ethyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 6-(2H-benzotriazole-5-carbonyl)-N-[2-(4-nitrophenyl)ethyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 46940808) is 6-(2H-benzotriazole-5-carbonyl)-N-[2-(4-nitrophenyl)ethyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-(2H-benzotriazole-5-carbonyl)-N-[2-(4-nitrophenyl)ethyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 6-(2H-benzotriazole-5-carbonyl)-N-[2-(4-nitrophenyl)ethyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide is O=C(NCCc1ccc([N+](=O)[O-])cc1)c1n[nH]c2c1CCN(C(=O)c1ccc3n[nH]nc3c1)C2.
What is the InChIKey of 6-(2H-benzotriazole-5-carbonyl)-N-[2-(4-nitrophenyl)ethyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is FAWMVMFKDVUYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N8O4/c31-21(23-9-7-13-1-4-15(5-2-13)30(33)34)20-16-8-10-29(12-19(16)24-27-20)22(32)14-3-6-17-18(11-14)26-28-25-17/h1-6,11H,7-10,12H2,(H,23,31)(H,24,27)(H,25,26,28).
What are the key properties of 6-(2H-benzotriazole-5-carbonyl)-N-[2-(4-nitrophenyl)ethyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
6-(2H-benzotriazole-5-carbonyl)-N-[2-(4-nitrophenyl)ethyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 460.45 g/mol, XLogP of 1.76, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2H-benzotriazole-5-carbonyl)-N-[2-(4-nitrophenyl)ethyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 46940808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).