3-[4-(ethylcarbamoyl)-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazol-3-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid

C25H30N6O4 — CID 175266927

About 3-[4-(ethylcarbamoyl)-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazol-3-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid

3-[4-(ethylcarbamoyl)-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazol-3-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid (PubChem CID 175266927) has the molecular formula C25H30N6O4 and a molecular weight of 478.55 g/mol. Its IUPAC name is 3-[4-(ethylcarbamoyl)-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazol-3-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid.

Molecular Properties

• Compound Name: 3-[4-(ethylcarbamoyl)-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazol-3-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid
• PubChem CID: 175266927
• Molecular Formula: C25H30N6O4
• Molecular Weight: 478.55 g/mol
• Exact Mass: 478.23
• IUPAC Name: 3-[4-(ethylcarbamoyl)-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazol-3-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid
• SMILES: CCNC(=O)c1cn(CCc2ccc3c(n2)NCCC3)nc1C(CC(=O)O)c1ccc(OC)nc1
• InChI: InChI=1S/C25H30N6O4/c1-3-26-25(34)20-15-31(12-10-18-8-6-16-5-4-11-27-24(16)29-18)30-23(20)19(13-22(32)33)17-7-9-21(35-2)28-14-17/h6-9,14-15,19H,3-5,10-13H2,1-2H3,(H,26,34)(H,27,29)(H,32,33)
• InChIKey: PYSZDOQHENAMSN-UHFFFAOYSA-N
• XLogP: 2.64
• TPSA: 131.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.55
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[4-(ethylcarbamoyl)-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazol-3-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid?

The IUPAC name of 3-[4-(ethylcarbamoyl)-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazol-3-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid (CID 175266927) is 3-[4-(ethylcarbamoyl)-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazol-3-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid.

What is the SMILES notation for 3-[4-(ethylcarbamoyl)-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazol-3-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid?

The canonical SMILES for 3-[4-(ethylcarbamoyl)-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazol-3-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid is CCNC(=O)c1cn(CCc2ccc3c(n2)NCCC3)nc1C(CC(=O)O)c1ccc(OC)nc1.

What is the InChIKey of 3-[4-(ethylcarbamoyl)-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazol-3-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid?

The InChIKey is PYSZDOQHENAMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O4/c1-3-26-25(34)20-15-31(12-10-18-8-6-16-5-4-11-27-24(16)29-18)30-23(20)19(13-22(32)33)17-7-9-21(35-2)28-14-17/h6-9,14-15,19H,3-5,10-13H2,1-2H3,(H,26,34)(H,27,29)(H,32,33).

What are the key properties of 3-[4-(ethylcarbamoyl)-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazol-3-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid?

3-[4-(ethylcarbamoyl)-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazol-3-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid has a molecular weight of 478.55 g/mol, XLogP of 2.64, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(ethylcarbamoyl)-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazol-3-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid is sourced from PubChem (CID 175266927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).