carbon dioxide;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-N-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C36H38N4O5 — CID 157409851

About carbon dioxide;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-N-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

carbon dioxide;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-N-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 157409851) has the molecular formula C36H38N4O5 and a molecular weight of 606.72 g/mol. Its IUPAC name is carbon dioxide;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-N-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: carbon dioxide;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-N-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 157409851
• Molecular Formula: C36H38N4O5
• Molecular Weight: 606.72 g/mol
• Exact Mass: 606.28
• IUPAC Name: carbon dioxide;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-N-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: CCCN(Cc1cccc2ccccc12)C(=O)c1nn(CCO)c2c1CN(Cc1ccc(OC)c3ccccc13)CC2.O=C=O
• InChI: InChI=1S/C35H38N4O3.CO2/c1-3-18-38(23-26-11-8-10-25-9-4-5-12-28(25)26)35(41)34-31-24-37(19-17-32(31)39(36-34)20-21-40)22-27-15-16-33(42-2)30-14-7-6-13-29(27)30;2-1-3/h4-16,40H,3,17-24H2,1-2H3
• InChIKey: BODMXJOWSGCSBK-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 104.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	606.72
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of carbon dioxide;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-N-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 157409851) is carbon dioxide;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-N-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

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

The canonical SMILES for carbon dioxide;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-N-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is CCCN(Cc1cccc2ccccc12)C(=O)c1nn(CCO)c2c1CN(Cc1ccc(OC)c3ccccc13)CC2.O=C=O.

What is the InChIKey of carbon dioxide;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-N-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The InChIKey is BODMXJOWSGCSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38N4O3.CO2/c1-3-18-38(23-26-11-8-10-25-9-4-5-12-28(25)26)35(41)34-31-24-37(19-17-32(31)39(36-34)20-21-40)22-27-15-16-33(42-2)30-14-7-6-13-29(27)30;2-1-3/h4-16,40H,3,17-24H2,1-2H3;.

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

carbon dioxide;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-N-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 606.72 g/mol, XLogP of 5.22, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for carbon dioxide;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-N-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 157409851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).