1-ethyl-N-(1H-indol-4-ylmethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C30H31N5O2 — CID 145030536

About 1-ethyl-N-(1H-indol-4-ylmethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

1-ethyl-N-(1H-indol-4-ylmethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 145030536) has the molecular formula C30H31N5O2 and a molecular weight of 493.61 g/mol. Its IUPAC name is 1-ethyl-N-(1H-indol-4-ylmethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-ethyl-N-(1H-indol-4-ylmethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 145030536
• Molecular Formula: C30H31N5O2
• Molecular Weight: 493.61 g/mol
• Exact Mass: 493.25
• IUPAC Name: 1-ethyl-N-(1H-indol-4-ylmethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: CCn1nc(C(=O)NCc2cccc3[nH]ccc23)c2c1CCN(Cc1ccc(OC)c3ccccc13)C2
• InChI: InChI=1S/C30H31N5O2/c1-3-35-27-14-16-34(18-21-11-12-28(37-2)24-9-5-4-8-22(21)24)19-25(27)29(33-35)30(36)32-17-20-7-6-10-26-23(20)13-15-31-26/h4-13,15,31H,3,14,16-19H2,1-2H3,(H,32,36)
• InChIKey: KOSFEXNUZMNOIM-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 75.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.61
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-ethyl-N-(1H-indol-4-ylmethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 145030536) is 1-ethyl-N-(1H-indol-4-ylmethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

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

The canonical SMILES for 1-ethyl-N-(1H-indol-4-ylmethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is CCn1nc(C(=O)NCc2cccc3[nH]ccc23)c2c1CCN(Cc1ccc(OC)c3ccccc13)C2.

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

The InChIKey is KOSFEXNUZMNOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N5O2/c1-3-35-27-14-16-34(18-21-11-12-28(37-2)24-9-5-4-8-22(21)24)19-25(27)29(33-35)30(36)32-17-20-7-6-10-26-23(20)13-15-31-26/h4-13,15,31H,3,14,16-19H2,1-2H3,(H,32,36).

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

1-ethyl-N-(1H-indol-4-ylmethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 493.61 g/mol, XLogP of 5.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-N-(1H-indol-4-ylmethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 145030536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).