(7E)-5-acetyl-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide

C30H27Cl2N5O3 — CID 58629486

IUPAC(7E)-5-acetyl-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide
SMILESCOc1ccc(/C=C2\CN(C(C)=O)Cc3c(C(=O)N[C@H](C)c4ccccn4)nn(-c4ccc(Cl)cc4Cl)c32)cc1
InChIInChI=1S/C30H27Cl2N5O3/c1-18(26-6-4-5-13-33-26)34-30(39)28-24-17-36(19(2)38)16-21(14-20-7-10-23(40-3)11-8-20)29(24)37(35-28)27-12-9-22(31)15-25(27)32/h4-15,18H,16-17H2,1-3H3,(H,34,39)/b21-14+/t18-/m1/s1
InChIKeyJNAIJNDLZQLKLM-ALDSOSFCSA-N
MW576.48 g/mol
LogP5.98
Rot. Bonds6

About (7E)-5-acetyl-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide

(7E)-5-acetyl-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide (PubChem CID 58629486) has the molecular formula C30H27Cl2N5O3 and a molecular weight of 576.48 g/mol. Its IUPAC name is (7E)-5-acetyl-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name(7E)-5-acetyl-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide
PubChem CID58629486
Molecular FormulaC30H27Cl2N5O3
Molecular Weight576.48 g/mol
Exact Mass575.15
IUPAC Name(7E)-5-acetyl-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide
SMILESCOc1ccc(/C=C2\CN(C(C)=O)Cc3c(C(=O)N[C@H](C)c4ccccn4)nn(-c4ccc(Cl)cc4Cl)c32)cc1
InChIInChI=1S/C30H27Cl2N5O3/c1-18(26-6-4-5-13-33-26)34-30(39)28-24-17-36(19(2)38)16-21(14-20-7-10-23(40-3)11-8-20)29(24)37(35-28)27-12-9-22(31)15-25(27)32/h4-15,18H,16-17H2,1-3H3,(H,34,39)/b21-14+/t18-/m1/s1
InChIKeyJNAIJNDLZQLKLM-ALDSOSFCSA-N
XLogP5.98
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.48
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (7E)-5-acetyl-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-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)-5-acetyl-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide?
The IUPAC name of (7E)-5-acetyl-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide (CID 58629486) is (7E)-5-acetyl-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide.
What is the SMILES notation for (7E)-5-acetyl-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide?
The canonical SMILES for (7E)-5-acetyl-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide is COc1ccc(/C=C2\CN(C(C)=O)Cc3c(C(=O)N[C@H](C)c4ccccn4)nn(-c4ccc(Cl)cc4Cl)c32)cc1.
What is the InChIKey of (7E)-5-acetyl-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide?
The InChIKey is JNAIJNDLZQLKLM-ALDSOSFCSA-N. The full InChI is InChI=1S/C30H27Cl2N5O3/c1-18(26-6-4-5-13-33-26)34-30(39)28-24-17-36(19(2)38)16-21(14-20-7-10-23(40-3)11-8-20)29(24)37(35-28)27-12-9-22(31)15-25(27)32/h4-15,18H,16-17H2,1-3H3,(H,34,39)/b21-14+/t18-/m1/s1.
What are the key properties of (7E)-5-acetyl-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide?
(7E)-5-acetyl-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide has a molecular weight of 576.48 g/mol, XLogP of 5.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-5-acetyl-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide is sourced from PubChem (CID 58629486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).