5-acetyl-N-[[7-(2-chloro-6-fluorobenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-3-carboxamide

C24H21ClFN3O3S — CID 42440247

About 5-acetyl-N-[[7-(2-chloro-6-fluorobenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-3-carboxamide

5-acetyl-N-[[7-(2-chloro-6-fluorobenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-3-carboxamide (PubChem CID 42440247) has the molecular formula C24H21ClFN3O3S and a molecular weight of 485.97 g/mol. Its IUPAC name is 5-acetyl-N-[[7-(2-chloro-6-fluorobenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-3-carboxamide.

Molecular Properties

• Compound Name: 5-acetyl-N-[[7-(2-chloro-6-fluorobenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-3-carboxamide
• PubChem CID: 42440247
• Molecular Formula: C24H21ClFN3O3S
• Molecular Weight: 485.97 g/mol
• Exact Mass: 485.10
• IUPAC Name: 5-acetyl-N-[[7-(2-chloro-6-fluorobenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-3-carboxamide
• SMILES: CC(=O)c1cc(C(=O)NCc2c(C)ncc3c2CCN(C(=O)c2c(F)cccc2Cl)C3)cs1
• InChI: InChI=1S/C24H21ClFN3O3S/c1-13-18(10-28-23(31)15-8-21(14(2)30)33-12-15)17-6-7-29(11-16(17)9-27-13)24(32)22-19(25)4-3-5-20(22)26/h3-5,8-9,12H,6-7,10-11H2,1-2H3,(H,28,31)
• InChIKey: GBTCDUAEBZDFJG-UHFFFAOYSA-N
• XLogP: 4.58
• TPSA: 79.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.97
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[[7-(2-chloro-6-fluorobenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-3-carboxamide?

The IUPAC name of 5-acetyl-N-[[7-(2-chloro-6-fluorobenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-3-carboxamide (CID 42440247) is 5-acetyl-N-[[7-(2-chloro-6-fluorobenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-3-carboxamide.

What is the SMILES notation for 5-acetyl-N-[[7-(2-chloro-6-fluorobenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-3-carboxamide?

The canonical SMILES for 5-acetyl-N-[[7-(2-chloro-6-fluorobenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-3-carboxamide is CC(=O)c1cc(C(=O)NCc2c(C)ncc3c2CCN(C(=O)c2c(F)cccc2Cl)C3)cs1.

What is the InChIKey of 5-acetyl-N-[[7-(2-chloro-6-fluorobenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-3-carboxamide?

The InChIKey is GBTCDUAEBZDFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFN3O3S/c1-13-18(10-28-23(31)15-8-21(14(2)30)33-12-15)17-6-7-29(11-16(17)9-27-13)24(32)22-19(25)4-3-5-20(22)26/h3-5,8-9,12H,6-7,10-11H2,1-2H3,(H,28,31).

What are the key properties of 5-acetyl-N-[[7-(2-chloro-6-fluorobenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-3-carboxamide?

5-acetyl-N-[[7-(2-chloro-6-fluorobenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-3-carboxamide has a molecular weight of 485.97 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-acetyl-N-[[7-(2-chloro-6-fluorobenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 42440247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).