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

C21H13ClF3N5OS — CID 46864814

IUPAC[3-chloro-6-pyridin-3-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(-c3cccnc3)cn2c1Cl)N1CC=C(c2nccs2)C1
InChIInChI=1S/C21H13ClF3N5OS/c22-17-16(20(31)29-6-3-13(10-29)19-27-5-7-32-19)28-18-15(21(23,24)25)8-14(11-30(17)18)12-2-1-4-26-9-12/h1-5,7-9,11H,6,10H2
InChIKeyGYTMQTNLPCWCHS-UHFFFAOYSA-N
MW475.88 g/mol
LogP5.06
Rot. Bonds3

About [3-chloro-6-pyridin-3-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-pyridin-3-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone (PubChem CID 46864814) has the molecular formula C21H13ClF3N5OS and a molecular weight of 475.88 g/mol. Its IUPAC name is [3-chloro-6-pyridin-3-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-pyridin-3-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone
PubChem CID46864814
Molecular FormulaC21H13ClF3N5OS
Molecular Weight475.88 g/mol
Exact Mass475.05
IUPAC Name[3-chloro-6-pyridin-3-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(-c3cccnc3)cn2c1Cl)N1CC=C(c2nccs2)C1
InChIInChI=1S/C21H13ClF3N5OS/c22-17-16(20(31)29-6-3-13(10-29)19-27-5-7-32-19)28-18-15(21(23,24)25)8-14(11-30(17)18)12-2-1-4-26-9-12/h1-5,7-9,11H,6,10H2
InChIKeyGYTMQTNLPCWCHS-UHFFFAOYSA-N
XLogP5.06
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.88
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-chloro-6-pyridin-3-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-pyridin-3-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-pyridin-3-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone (CID 46864814) is [3-chloro-6-pyridin-3-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-pyridin-3-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-pyridin-3-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(-c3cccnc3)cn2c1Cl)N1CC=C(c2nccs2)C1.
What is the InChIKey of [3-chloro-6-pyridin-3-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 GYTMQTNLPCWCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClF3N5OS/c22-17-16(20(31)29-6-3-13(10-29)19-27-5-7-32-19)28-18-15(21(23,24)25)8-14(11-30(17)18)12-2-1-4-26-9-12/h1-5,7-9,11H,6,10H2.
What are the key properties of [3-chloro-6-pyridin-3-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-pyridin-3-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 475.88 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-pyridin-3-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 46864814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).