5-[2-(4-methoxyphenyl)acetyl]-N-[2-(4-methoxyphenyl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

C25H28N4O4 — CID 46079385

IUPAC5-[2-(4-methoxyphenyl)acetyl]-N-[2-(4-methoxyphenyl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2n[nH]c3c2CN(C(=O)Cc2ccc(OC)cc2)CC3)cc1
InChIInChI=1S/C25H28N4O4/c1-32-19-7-3-17(4-8-19)11-13-26-25(31)24-21-16-29(14-12-22(21)27-28-24)23(30)15-18-5-9-20(33-2)10-6-18/h3-10H,11-16H2,1-2H3,(H,26,31)(H,27,28)
InChIKeyHKGHJRYPAPBURN-UHFFFAOYSA-N
MW448.52 g/mol
LogP2.53
Rot. Bonds8

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

5-[2-(4-methoxyphenyl)acetyl]-N-[2-(4-methoxyphenyl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 46079385) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is 5-[2-(4-methoxyphenyl)acetyl]-N-[2-(4-methoxyphenyl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-(4-methoxyphenyl)acetyl]-N-[2-(4-methoxyphenyl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID46079385
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC Name5-[2-(4-methoxyphenyl)acetyl]-N-[2-(4-methoxyphenyl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2n[nH]c3c2CN(C(=O)Cc2ccc(OC)cc2)CC3)cc1
InChIInChI=1S/C25H28N4O4/c1-32-19-7-3-17(4-8-19)11-13-26-25(31)24-21-16-29(14-12-22(21)27-28-24)23(30)15-18-5-9-20(33-2)10-6-18/h3-10H,11-16H2,1-2H3,(H,26,31)(H,27,28)
InChIKeyHKGHJRYPAPBURN-UHFFFAOYSA-N
XLogP2.53
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-5-[2-(4-methylphenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 46079387
5-[2-(4-methoxyphenyl)acetyl]-N-[(3-methylphenyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 46075174
N-benzyl-5-(4-methoxybenzoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 42873475
N-benzyl-5-[2-(3,4-dimethoxyphenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 46075959
5-[2-(2-methoxyphenyl)acetyl]-N-(3-methoxypropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 46076050
5-[2-(2,5-dimethoxyphenyl)acetyl]-N-[(3-methylphenyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 46076105
N-(2-methylpropyl)-5-[2-(4-nitrophenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 46075916
N-(1,3-benzodioxol-5-ylmethyl)-5-[2-(4-fluorophenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 42874683
N-cyclopropyl-5-[2-(4-nitrophenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 42874572
5-(2-methoxyacetyl)-N-pentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 46076223
N-cyclopropyl-5-[2-(3,4-dichlorophenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 46168614
N-[2-(4-methoxyphenoxy)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110415041

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methoxyphenyl)acetyl]-N-[2-(4-methoxyphenyl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-[2-(4-methoxyphenyl)acetyl]-N-[2-(4-methoxyphenyl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 46079385) is 5-[2-(4-methoxyphenyl)acetyl]-N-[2-(4-methoxyphenyl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-[2-(4-methoxyphenyl)acetyl]-N-[2-(4-methoxyphenyl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-[2-(4-methoxyphenyl)acetyl]-N-[2-(4-methoxyphenyl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is COc1ccc(CCNC(=O)c2n[nH]c3c2CN(C(=O)Cc2ccc(OC)cc2)CC3)cc1.
What is the InChIKey of 5-[2-(4-methoxyphenyl)acetyl]-N-[2-(4-methoxyphenyl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is HKGHJRYPAPBURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-32-19-7-3-17(4-8-19)11-13-26-25(31)24-21-16-29(14-12-22(21)27-28-24)23(30)15-18-5-9-20(33-2)10-6-18/h3-10H,11-16H2,1-2H3,(H,26,31)(H,27,28).
What are the key properties of 5-[2-(4-methoxyphenyl)acetyl]-N-[2-(4-methoxyphenyl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
5-[2-(4-methoxyphenyl)acetyl]-N-[2-(4-methoxyphenyl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 448.52 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methoxyphenyl)acetyl]-N-[2-(4-methoxyphenyl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 46079385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).