[4-[4-(2-tert-butyl-4-pyridinyl)thiophen-2-yl]-3-chlorophenyl]-(3,4-dihydro-2H-1,8-naphthyridin-1-yl)methanone

C28H26ClN3OS — CID 134273190

About [4-[4-(2-tert-butyl-4-pyridinyl)thiophen-2-yl]-3-chlorophenyl]-(3,4-dihydro-2H-1,8-naphthyridin-1-yl)methanone

[4-[4-(2-tert-butyl-4-pyridinyl)thiophen-2-yl]-3-chlorophenyl]-(3,4-dihydro-2H-1,8-naphthyridin-1-yl)methanone (PubChem CID 134273190) has the molecular formula C28H26ClN3OS and a molecular weight of 488.06 g/mol. Its IUPAC name is [4-[4-(2-tert-butyl-4-pyridinyl)thiophen-2-yl]-3-chlorophenyl]-(3,4-dihydro-2H-1,8-naphthyridin-1-yl)methanone.

Molecular Properties

• Compound Name: [4-[4-(2-tert-butyl-4-pyridinyl)thiophen-2-yl]-3-chlorophenyl]-(3,4-dihydro-2H-1,8-naphthyridin-1-yl)methanone
• PubChem CID: 134273190
• Molecular Formula: C28H26ClN3OS
• Molecular Weight: 488.06 g/mol
• Exact Mass: 487.15
• IUPAC Name: [4-[4-(2-tert-butyl-4-pyridinyl)thiophen-2-yl]-3-chlorophenyl]-(3,4-dihydro-2H-1,8-naphthyridin-1-yl)methanone
• SMILES: CC(C)(C)c1cc(-c2csc(-c3ccc(C(=O)N4CCCc5cccnc54)cc3Cl)c2)ccn1
• InChI: InChI=1S/C28H26ClN3OS/c1-28(2,3)25-16-19(10-12-30-25)21-15-24(34-17-21)22-9-8-20(14-23(22)29)27(33)32-13-5-7-18-6-4-11-31-26(18)32/h4,6,8-12,14-17H,5,7,13H2,1-3H3
• InChIKey: VDHCUJXKARYCBA-UHFFFAOYSA-N
• XLogP: 7.42
• TPSA: 46.09 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.06
LogP ≤ 5	7.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2-tert-butyl-4-pyridinyl)thiophen-2-yl]-3-chlorophenyl]-(3,4-dihydro-2H-1,8-naphthyridin-1-yl)methanone?

The IUPAC name of [4-[4-(2-tert-butyl-4-pyridinyl)thiophen-2-yl]-3-chlorophenyl]-(3,4-dihydro-2H-1,8-naphthyridin-1-yl)methanone (CID 134273190) is [4-[4-(2-tert-butyl-4-pyridinyl)thiophen-2-yl]-3-chlorophenyl]-(3,4-dihydro-2H-1,8-naphthyridin-1-yl)methanone.

What is the SMILES notation for [4-[4-(2-tert-butyl-4-pyridinyl)thiophen-2-yl]-3-chlorophenyl]-(3,4-dihydro-2H-1,8-naphthyridin-1-yl)methanone?

The canonical SMILES for [4-[4-(2-tert-butyl-4-pyridinyl)thiophen-2-yl]-3-chlorophenyl]-(3,4-dihydro-2H-1,8-naphthyridin-1-yl)methanone is CC(C)(C)c1cc(-c2csc(-c3ccc(C(=O)N4CCCc5cccnc54)cc3Cl)c2)ccn1.

What is the InChIKey of [4-[4-(2-tert-butyl-4-pyridinyl)thiophen-2-yl]-3-chlorophenyl]-(3,4-dihydro-2H-1,8-naphthyridin-1-yl)methanone?

The InChIKey is VDHCUJXKARYCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClN3OS/c1-28(2,3)25-16-19(10-12-30-25)21-15-24(34-17-21)22-9-8-20(14-23(22)29)27(33)32-13-5-7-18-6-4-11-31-26(18)32/h4,6,8-12,14-17H,5,7,13H2,1-3H3.

What are the key properties of [4-[4-(2-tert-butyl-4-pyridinyl)thiophen-2-yl]-3-chlorophenyl]-(3,4-dihydro-2H-1,8-naphthyridin-1-yl)methanone?

[4-[4-(2-tert-butyl-4-pyridinyl)thiophen-2-yl]-3-chlorophenyl]-(3,4-dihydro-2H-1,8-naphthyridin-1-yl)methanone has a molecular weight of 488.06 g/mol, XLogP of 7.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[4-(2-tert-butyl-4-pyridinyl)thiophen-2-yl]-3-chlorophenyl]-(3,4-dihydro-2H-1,8-naphthyridin-1-yl)methanone is sourced from PubChem (CID 134273190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).