N-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-5-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C27H32N4O3 — CID 26232738

About N-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-5-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

N-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-5-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26232738) has the molecular formula C27H32N4O3 and a molecular weight of 460.58 g/mol. Its IUPAC name is N-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-5-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-5-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 26232738
• Molecular Formula: C27H32N4O3
• Molecular Weight: 460.58 g/mol
• Exact Mass: 460.25
• IUPAC Name: N-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-5-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: COc1ccc(CCn2nc(C(=O)NC3CC3)c3c2CCN(Cc2cccc(OC)c2)C3)cc1
• InChI: InChI=1S/C27H32N4O3/c1-33-22-10-6-19(7-11-22)12-15-31-25-13-14-30(17-20-4-3-5-23(16-20)34-2)18-24(25)26(29-31)27(32)28-21-8-9-21/h3-7,10-11,16,21H,8-9,12-15,17-18H2,1-2H3,(H,28,32)
• InChIKey: LIGXFYACLFPSOX-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 68.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.58
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-5-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The IUPAC name of N-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-5-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26232738) is N-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-5-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

What is the SMILES notation for N-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-5-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The canonical SMILES for N-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-5-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is COc1ccc(CCn2nc(C(=O)NC3CC3)c3c2CCN(Cc2cccc(OC)c2)C3)cc1.

What is the InChIKey of N-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-5-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The InChIKey is LIGXFYACLFPSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O3/c1-33-22-10-6-19(7-11-22)12-15-31-25-13-14-30(17-20-4-3-5-23(16-20)34-2)18-24(25)26(29-31)27(32)28-21-8-9-21/h3-7,10-11,16,21H,8-9,12-15,17-18H2,1-2H3,(H,28,32).

What are the key properties of N-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-5-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

N-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-5-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 460.58 g/mol, XLogP of 3.59, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-5-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26232738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).