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

C26H34N4O3 — CID 45161754

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

N-ethyl-1-[(3-methoxyphenyl)methyl]-5-[3-(5-methylfuran-2-yl)butyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 45161754) has the molecular formula C26H34N4O3 and a molecular weight of 450.58 g/mol. Its IUPAC name is N-ethyl-1-[(3-methoxyphenyl)methyl]-5-[3-(5-methylfuran-2-yl)butyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-ethyl-1-[(3-methoxyphenyl)methyl]-5-[3-(5-methylfuran-2-yl)butyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 45161754
• Molecular Formula: C26H34N4O3
• Molecular Weight: 450.58 g/mol
• Exact Mass: 450.26
• IUPAC Name: N-ethyl-1-[(3-methoxyphenyl)methyl]-5-[3-(5-methylfuran-2-yl)butyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: CCNC(=O)c1nn(Cc2cccc(OC)c2)c2c1CN(CCC(C)c1ccc(C)o1)CC2
• InChI: InChI=1S/C26H34N4O3/c1-5-27-26(31)25-22-17-29(13-11-18(2)24-10-9-19(3)33-24)14-12-23(22)30(28-25)16-20-7-6-8-21(15-20)32-4/h6-10,15,18H,5,11-14,16-17H2,1-4H3,(H,27,31)
• InChIKey: YXJGXSCWLZRFKP-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 72.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.58
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-ethyl-1-[(3-methoxyphenyl)methyl]-5-[3-(5-methylfuran-2-yl)butyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 45161754) is N-ethyl-1-[(3-methoxyphenyl)methyl]-5-[3-(5-methylfuran-2-yl)butyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

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

The canonical SMILES for N-ethyl-1-[(3-methoxyphenyl)methyl]-5-[3-(5-methylfuran-2-yl)butyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is CCNC(=O)c1nn(Cc2cccc(OC)c2)c2c1CN(CCC(C)c1ccc(C)o1)CC2.

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

The InChIKey is YXJGXSCWLZRFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O3/c1-5-27-26(31)25-22-17-29(13-11-18(2)24-10-9-19(3)33-24)14-12-23(22)30(28-25)16-20-7-6-8-21(15-20)32-4/h6-10,15,18H,5,11-14,16-17H2,1-4H3,(H,27,31).

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

N-ethyl-1-[(3-methoxyphenyl)methyl]-5-[3-(5-methylfuran-2-yl)butyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 450.58 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-1-[(3-methoxyphenyl)methyl]-5-[3-(5-methylfuran-2-yl)butyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 45161754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).