(7E)-1-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5-(1H-1,2,4-triazole-5-carbonyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide

C30H24Cl2N8O2 — CID 134138952

IUPAC(7E)-1-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5-(1H-1,2,4-triazole-5-carbonyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CN(C(=O)c1ncn[nH]1)C/C2=C\c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C30H24Cl2N8O2/c1-18(25-4-2-3-13-33-25)36-29(41)26-24-16-39(30(42)28-34-17-35-37-28)15-20(14-19-5-7-21(31)8-6-19)27(24)40(38-26)23-11-9-22(32)10-12-23/h2-14,17-18H,15-16H2,1H3,(H,36,41)(H,34,35,37)/b20-14+/t18-/m1/s1
InChIKeyYXYWTRJMRSCHJZ-SQVRNEIYSA-N
MW599.48 g/mol
LogP5.38
Rot. Bonds6

About (7E)-1-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5-(1H-1,2,4-triazole-5-carbonyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide

(7E)-1-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5-(1H-1,2,4-triazole-5-carbonyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide (PubChem CID 134138952) has the molecular formula C30H24Cl2N8O2 and a molecular weight of 599.48 g/mol. Its IUPAC name is (7E)-1-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5-(1H-1,2,4-triazole-5-carbonyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name(7E)-1-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5-(1H-1,2,4-triazole-5-carbonyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide
PubChem CID134138952
Molecular FormulaC30H24Cl2N8O2
Molecular Weight599.48 g/mol
Exact Mass598.14
IUPAC Name(7E)-1-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5-(1H-1,2,4-triazole-5-carbonyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CN(C(=O)c1ncn[nH]1)C/C2=C\c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C30H24Cl2N8O2/c1-18(25-4-2-3-13-33-25)36-29(41)26-24-16-39(30(42)28-34-17-35-37-28)15-20(14-19-5-7-21(31)8-6-19)27(24)40(38-26)23-11-9-22(32)10-12-23/h2-14,17-18H,15-16H2,1H3,(H,36,41)(H,34,35,37)/b20-14+/t18-/m1/s1
InChIKeyYXYWTRJMRSCHJZ-SQVRNEIYSA-N
XLogP5.38
TPSA121.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.48
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (7E)-1-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5-(1H-1,2,4-triazole-5-carbonyl)-4,6-dihydropyrazolo[4,5-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

Frequently Asked Questions

What is the IUPAC name of (7E)-1-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5-(1H-1,2,4-triazole-5-carbonyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide?
The IUPAC name of (7E)-1-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5-(1H-1,2,4-triazole-5-carbonyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide (CID 134138952) is (7E)-1-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5-(1H-1,2,4-triazole-5-carbonyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide.
What is the SMILES notation for (7E)-1-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5-(1H-1,2,4-triazole-5-carbonyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide?
The canonical SMILES for (7E)-1-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5-(1H-1,2,4-triazole-5-carbonyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide is C[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CN(C(=O)c1ncn[nH]1)C/C2=C\c1ccc(Cl)cc1)c1ccccn1.
What is the InChIKey of (7E)-1-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5-(1H-1,2,4-triazole-5-carbonyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide?
The InChIKey is YXYWTRJMRSCHJZ-SQVRNEIYSA-N. The full InChI is InChI=1S/C30H24Cl2N8O2/c1-18(25-4-2-3-13-33-25)36-29(41)26-24-16-39(30(42)28-34-17-35-37-28)15-20(14-19-5-7-21(31)8-6-19)27(24)40(38-26)23-11-9-22(32)10-12-23/h2-14,17-18H,15-16H2,1H3,(H,36,41)(H,34,35,37)/b20-14+/t18-/m1/s1.
What are the key properties of (7E)-1-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5-(1H-1,2,4-triazole-5-carbonyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide?
(7E)-1-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5-(1H-1,2,4-triazole-5-carbonyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide has a molecular weight of 599.48 g/mol, XLogP of 5.38, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-1-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5-(1H-1,2,4-triazole-5-carbonyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide is sourced from PubChem (CID 134138952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).