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

C22H19ClF3N5OS — CID 59443976

IUPAC[3-chloro-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone
SMILESCN1CC=C(c2cc(C(F)(F)F)c3nc(C(=O)N4CC=C(c5nccs5)C4)c(Cl)n3c2)CC1
InChIInChI=1S/C22H19ClF3N5OS/c1-29-6-2-13(3-7-29)15-10-16(22(24,25)26)19-28-17(18(23)31(19)12-15)21(32)30-8-4-14(11-30)20-27-5-9-33-20/h2,4-5,9-10,12H,3,6-8,11H2,1H3
InChIKeyPJRNUCWNQJFCJE-UHFFFAOYSA-N
MW493.94 g/mol
LogP4.72
Rot. Bonds3

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

[3-chloro-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone (PubChem CID 59443976) has the molecular formula C22H19ClF3N5OS and a molecular weight of 493.94 g/mol. Its IUPAC name is [3-chloro-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone.

Molecular Properties

Compound Name[3-chloro-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone
PubChem CID59443976
Molecular FormulaC22H19ClF3N5OS
Molecular Weight493.94 g/mol
Exact Mass493.10
IUPAC Name[3-chloro-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone
SMILESCN1CC=C(c2cc(C(F)(F)F)c3nc(C(=O)N4CC=C(c5nccs5)C4)c(Cl)n3c2)CC1
InChIInChI=1S/C22H19ClF3N5OS/c1-29-6-2-13(3-7-29)15-10-16(22(24,25)26)19-28-17(18(23)31(19)12-15)21(32)30-8-4-14(11-30)20-27-5-9-33-20/h2,4-5,9-10,12H,3,6-8,11H2,1H3
InChIKeyPJRNUCWNQJFCJE-UHFFFAOYSA-N
XLogP4.72
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.94
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-chloro-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone?
The IUPAC name of [3-chloro-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone (CID 59443976) is [3-chloro-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone.
What is the SMILES notation for [3-chloro-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone?
The canonical SMILES for [3-chloro-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone is CN1CC=C(c2cc(C(F)(F)F)c3nc(C(=O)N4CC=C(c5nccs5)C4)c(Cl)n3c2)CC1.
What is the InChIKey of [3-chloro-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone?
The InChIKey is PJRNUCWNQJFCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF3N5OS/c1-29-6-2-13(3-7-29)15-10-16(22(24,25)26)19-28-17(18(23)31(19)12-15)21(32)30-8-4-14(11-30)20-27-5-9-33-20/h2,4-5,9-10,12H,3,6-8,11H2,1H3.
What are the key properties of [3-chloro-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone?
[3-chloro-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone has a molecular weight of 493.94 g/mol, XLogP of 4.72, 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-methyl-3,6-dihydro-2H-pyridin-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone is sourced from PubChem (CID 59443976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).