5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-1-[2-(propan-2-ylamino)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C35H39N5O2 — CID 130375321

About 5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-1-[2-(propan-2-ylamino)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-1-[2-(propan-2-ylamino)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 130375321) has the molecular formula C35H39N5O2 and a molecular weight of 561.73 g/mol. Its IUPAC name is 5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-1-[2-(propan-2-ylamino)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-1-[2-(propan-2-ylamino)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 130375321
• Molecular Formula: C35H39N5O2
• Molecular Weight: 561.73 g/mol
• Exact Mass: 561.31
• IUPAC Name: 5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-1-[2-(propan-2-ylamino)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: COc1ccc(CN2CCc3c(c(C(=O)NCc4cccc5ccccc45)nn3CCNC(C)C)C2)c2ccccc12
• InChI: InChI=1S/C35H39N5O2/c1-24(2)36-18-20-40-32-17-19-39(22-27-15-16-33(42-3)30-14-7-6-13-29(27)30)23-31(32)34(38-40)35(41)37-21-26-11-8-10-25-9-4-5-12-28(25)26/h4-16,24,36H,17-23H2,1-3H3,(H,37,41)
• InChIKey: KTVWXYGBCPXDAK-UHFFFAOYSA-N
• XLogP: 5.68
• TPSA: 71.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	561.73
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-1-[2-(propan-2-ylamino)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The IUPAC name of 5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-1-[2-(propan-2-ylamino)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 130375321) is 5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-1-[2-(propan-2-ylamino)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

What is the SMILES notation for 5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-1-[2-(propan-2-ylamino)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The canonical SMILES for 5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-1-[2-(propan-2-ylamino)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is COc1ccc(CN2CCc3c(c(C(=O)NCc4cccc5ccccc45)nn3CCNC(C)C)C2)c2ccccc12.

What is the InChIKey of 5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-1-[2-(propan-2-ylamino)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The InChIKey is KTVWXYGBCPXDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H39N5O2/c1-24(2)36-18-20-40-32-17-19-39(22-27-15-16-33(42-3)30-14-7-6-13-29(27)30)23-31(32)34(38-40)35(41)37-21-26-11-8-10-25-9-4-5-12-28(25)26/h4-16,24,36H,17-23H2,1-3H3,(H,37,41).

What are the key properties of 5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-1-[2-(propan-2-ylamino)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-1-[2-(propan-2-ylamino)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 561.73 g/mol, XLogP of 5.68, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-1-[2-(propan-2-ylamino)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 130375321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).