2-[(2-methylindazole-5-carbonyl)amino]-4-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutyl]oxybutanoic acid

C27H33N5O4 — CID 146462644

About 2-[(2-methylindazole-5-carbonyl)amino]-4-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutyl]oxybutanoic acid

2-[(2-methylindazole-5-carbonyl)amino]-4-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutyl]oxybutanoic acid (PubChem CID 146462644) has the molecular formula C27H33N5O4 and a molecular weight of 491.59 g/mol. Its IUPAC name is 2-[(2-methylindazole-5-carbonyl)amino]-4-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutyl]oxybutanoic acid.

Molecular Properties

• Compound Name: 2-[(2-methylindazole-5-carbonyl)amino]-4-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutyl]oxybutanoic acid
• PubChem CID: 146462644
• Molecular Formula: C27H33N5O4
• Molecular Weight: 491.59 g/mol
• Exact Mass: 491.25
• IUPAC Name: 2-[(2-methylindazole-5-carbonyl)amino]-4-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutyl]oxybutanoic acid
• SMILES: Cn1cc2cc(C(=O)NC(CCOC3CC(CCc4ccc5c(n4)NCCC5)C3)C(=O)O)ccc2n1
• InChI: InChI=1S/C27H33N5O4/c1-32-16-20-15-19(6-9-23(20)31-32)26(33)30-24(27(34)35)10-12-36-22-13-17(14-22)4-7-21-8-5-18-3-2-11-28-25(18)29-21/h5-6,8-9,15-17,22,24H,2-4,7,10-14H2,1H3,(H,28,29)(H,30,33)(H,34,35)
• InChIKey: IWPVPTMHNQQVOQ-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 118.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.59
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylindazole-5-carbonyl)amino]-4-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutyl]oxybutanoic acid?

The IUPAC name of 2-[(2-methylindazole-5-carbonyl)amino]-4-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutyl]oxybutanoic acid (CID 146462644) is 2-[(2-methylindazole-5-carbonyl)amino]-4-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutyl]oxybutanoic acid.

What is the SMILES notation for 2-[(2-methylindazole-5-carbonyl)amino]-4-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutyl]oxybutanoic acid?

The canonical SMILES for 2-[(2-methylindazole-5-carbonyl)amino]-4-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutyl]oxybutanoic acid is Cn1cc2cc(C(=O)NC(CCOC3CC(CCc4ccc5c(n4)NCCC5)C3)C(=O)O)ccc2n1.

What is the InChIKey of 2-[(2-methylindazole-5-carbonyl)amino]-4-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutyl]oxybutanoic acid?

The InChIKey is IWPVPTMHNQQVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O4/c1-32-16-20-15-19(6-9-23(20)31-32)26(33)30-24(27(34)35)10-12-36-22-13-17(14-22)4-7-21-8-5-18-3-2-11-28-25(18)29-21/h5-6,8-9,15-17,22,24H,2-4,7,10-14H2,1H3,(H,28,29)(H,30,33)(H,34,35).

What are the key properties of 2-[(2-methylindazole-5-carbonyl)amino]-4-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutyl]oxybutanoic acid?

2-[(2-methylindazole-5-carbonyl)amino]-4-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutyl]oxybutanoic acid has a molecular weight of 491.59 g/mol, XLogP of 3.33, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2-methylindazole-5-carbonyl)amino]-4-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutyl]oxybutanoic acid is sourced from PubChem (CID 146462644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).