[3-chloro-6-(1,3-thiazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

C22H14ClF4N5OS — CID 46864588

About [3-chloro-6-(1,3-thiazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

[3-chloro-6-(1,3-thiazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 46864588) has the molecular formula C22H14ClF4N5OS and a molecular weight of 507.90 g/mol. Its IUPAC name is [3-chloro-6-(1,3-thiazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

• Compound Name: [3-chloro-6-(1,3-thiazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
• PubChem CID: 46864588
• Molecular Formula: C22H14ClF4N5OS
• Molecular Weight: 507.90 g/mol
• Exact Mass: 507.05
• IUPAC Name: [3-chloro-6-(1,3-thiazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
• SMILES: O=C(c1nc2c(C(F)(F)F)cc(-c3cncs3)cn2c1Cl)N1CC=C(c2ncccc2F)CC1
• InChI: InChI=1S/C22H14ClF4N5OS/c23-19-18(21(33)31-6-3-12(4-7-31)17-15(24)2-1-5-29-17)30-20-14(22(25,26)27)8-13(10-32(19)20)16-9-28-11-34-16/h1-3,5,8-11H,4,6-7H2
• InChIKey: RLPDYUVZMFVYMU-UHFFFAOYSA-N
• XLogP: 5.59
• TPSA: 63.39 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.90
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-(1,3-thiazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?

The IUPAC name of [3-chloro-6-(1,3-thiazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 46864588) is [3-chloro-6-(1,3-thiazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

What is the SMILES notation for [3-chloro-6-(1,3-thiazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?

The canonical SMILES for [3-chloro-6-(1,3-thiazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is O=C(c1nc2c(C(F)(F)F)cc(-c3cncs3)cn2c1Cl)N1CC=C(c2ncccc2F)CC1.

What is the InChIKey of [3-chloro-6-(1,3-thiazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?

The InChIKey is RLPDYUVZMFVYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClF4N5OS/c23-19-18(21(33)31-6-3-12(4-7-31)17-15(24)2-1-5-29-17)30-20-14(22(25,26)27)8-13(10-32(19)20)16-9-28-11-34-16/h1-3,5,8-11H,4,6-7H2.

What are the key properties of [3-chloro-6-(1,3-thiazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?

[3-chloro-6-(1,3-thiazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 507.90 g/mol, XLogP of 5.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [3-chloro-6-(1,3-thiazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 46864588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).