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

C21H17ClF3N5OS — CID 46864859

IUPAC[3-chloro-6-(1,2,3,6-tetrahydropyridin-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone
SMILESO=C(c1nc2c(C(F)(F)F)cc(C3=CCNCC3)cn2c1Cl)N1CC=C(c2nccs2)C1
InChIInChI=1S/C21H17ClF3N5OS/c22-17-16(20(31)29-7-3-13(10-29)19-27-6-8-32-19)28-18-15(21(23,24)25)9-14(11-30(17)18)12-1-4-26-5-2-12/h1,3,6,8-9,11,26H,2,4-5,7,10H2
InChIKeyUXPJOAVHUBEBGP-UHFFFAOYSA-N
MW479.92 g/mol
LogP4.38
Rot. Bonds3

About [3-chloro-6-(1,2,3,6-tetrahydropyridin-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-(1,2,3,6-tetrahydropyridin-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 46864859) has the molecular formula C21H17ClF3N5OS and a molecular weight of 479.92 g/mol. Its IUPAC name is [3-chloro-6-(1,2,3,6-tetrahydropyridin-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-(1,2,3,6-tetrahydropyridin-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone
PubChem CID46864859
Molecular FormulaC21H17ClF3N5OS
Molecular Weight479.92 g/mol
Exact Mass479.08
IUPAC Name[3-chloro-6-(1,2,3,6-tetrahydropyridin-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone
SMILESO=C(c1nc2c(C(F)(F)F)cc(C3=CCNCC3)cn2c1Cl)N1CC=C(c2nccs2)C1
InChIInChI=1S/C21H17ClF3N5OS/c22-17-16(20(31)29-7-3-13(10-29)19-27-6-8-32-19)28-18-15(21(23,24)25)9-14(11-30(17)18)12-1-4-26-5-2-12/h1,3,6,8-9,11,26H,2,4-5,7,10H2
InChIKeyUXPJOAVHUBEBGP-UHFFFAOYSA-N
XLogP4.38
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.92
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-chloro-6-(1,2,3,6-tetrahydropyridin-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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-(1,2,3,6-tetrahydropyridin-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-(1,2,3,6-tetrahydropyridin-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone (CID 46864859) is [3-chloro-6-(1,2,3,6-tetrahydropyridin-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-(1,2,3,6-tetrahydropyridin-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-(1,2,3,6-tetrahydropyridin-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone is O=C(c1nc2c(C(F)(F)F)cc(C3=CCNCC3)cn2c1Cl)N1CC=C(c2nccs2)C1.
What is the InChIKey of [3-chloro-6-(1,2,3,6-tetrahydropyridin-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 UXPJOAVHUBEBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF3N5OS/c22-17-16(20(31)29-7-3-13(10-29)19-27-6-8-32-19)28-18-15(21(23,24)25)9-14(11-30(17)18)12-1-4-26-5-2-12/h1,3,6,8-9,11,26H,2,4-5,7,10H2.
What are the key properties of [3-chloro-6-(1,2,3,6-tetrahydropyridin-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-(1,2,3,6-tetrahydropyridin-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 479.92 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-(1,2,3,6-tetrahydropyridin-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 46864859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).