4-(4-chloro-2-fluorophenyl)-7-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide

C23H27ClFN3O2 — CID 118902472

About 4-(4-chloro-2-fluorophenyl)-7-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide

4-(4-chloro-2-fluorophenyl)-7-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide (PubChem CID 118902472) has the molecular formula C23H27ClFN3O2 and a molecular weight of 431.94 g/mol. Its IUPAC name is 4-(4-chloro-2-fluorophenyl)-7-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-(4-chloro-2-fluorophenyl)-7-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
• PubChem CID: 118902472
• Molecular Formula: C23H27ClFN3O2
• Molecular Weight: 431.94 g/mol
• Exact Mass: 431.18
• IUPAC Name: 4-(4-chloro-2-fluorophenyl)-7-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
• SMILES: CC1(C)C[C@@H](CN2CCc3c(-c4ccc(Cl)cc4F)cc(C(N)=O)nc3C2)CCO1
• InChI: InChI=1S/C23H27ClFN3O2/c1-23(2)11-14(6-8-30-23)12-28-7-5-17-18(16-4-3-15(24)9-19(16)25)10-20(22(26)29)27-21(17)13-28/h3-4,9-10,14H,5-8,11-13H2,1-2H3,(H2,26,29)/t14-/m0/s1
• InChIKey: CSOAHWZMIVAVCY-AWEZNQCLSA-N
• XLogP: 4.20
• TPSA: 68.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.94
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluorophenyl)-7-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?

The IUPAC name of 4-(4-chloro-2-fluorophenyl)-7-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide (CID 118902472) is 4-(4-chloro-2-fluorophenyl)-7-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide.

What is the SMILES notation for 4-(4-chloro-2-fluorophenyl)-7-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?

The canonical SMILES for 4-(4-chloro-2-fluorophenyl)-7-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide is CC1(C)C[C@@H](CN2CCc3c(-c4ccc(Cl)cc4F)cc(C(N)=O)nc3C2)CCO1.

What is the InChIKey of 4-(4-chloro-2-fluorophenyl)-7-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?

The InChIKey is CSOAHWZMIVAVCY-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H27ClFN3O2/c1-23(2)11-14(6-8-30-23)12-28-7-5-17-18(16-4-3-15(24)9-19(16)25)10-20(22(26)29)27-21(17)13-28/h3-4,9-10,14H,5-8,11-13H2,1-2H3,(H2,26,29)/t14-/m0/s1.

What are the key properties of 4-(4-chloro-2-fluorophenyl)-7-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?

4-(4-chloro-2-fluorophenyl)-7-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide has a molecular weight of 431.94 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-chloro-2-fluorophenyl)-7-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide is sourced from PubChem (CID 118902472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).