4-cyclopropyl-3-imidazo[1,2-a]pyridin-7-yl-N-[2-(trifluoromethyl)-4-pyridinyl]-1,2-thiazole-5-carboxamide

C20H14F3N5OS — CID 171095854

IUPAC4-cyclopropyl-3-imidazo[1,2-a]pyridin-7-yl-N-[2-(trifluoromethyl)-4-pyridinyl]-1,2-thiazole-5-carboxamide
SMILESO=C(Nc1ccnc(C(F)(F)F)c1)c1snc(-c2ccn3ccnc3c2)c1C1CC1
InChIInChI=1S/C20H14F3N5OS/c21-20(22,23)14-10-13(3-5-24-14)26-19(29)18-16(11-1-2-11)17(27-30-18)12-4-7-28-8-6-25-15(28)9-12/h3-11H,1-2H2,(H,24,26,29)
InChIKeyAKEBUDHURCCTCV-UHFFFAOYSA-N
MW429.43 g/mol
LogP5.00
Rot. Bonds4

About 4-cyclopropyl-3-imidazo[1,2-a]pyridin-7-yl-N-[2-(trifluoromethyl)-4-pyridinyl]-1,2-thiazole-5-carboxamide

4-cyclopropyl-3-imidazo[1,2-a]pyridin-7-yl-N-[2-(trifluoromethyl)-4-pyridinyl]-1,2-thiazole-5-carboxamide (PubChem CID 171095854) has the molecular formula C20H14F3N5OS and a molecular weight of 429.43 g/mol. Its IUPAC name is 4-cyclopropyl-3-imidazo[1,2-a]pyridin-7-yl-N-[2-(trifluoromethyl)-4-pyridinyl]-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-3-imidazo[1,2-a]pyridin-7-yl-N-[2-(trifluoromethyl)-4-pyridinyl]-1,2-thiazole-5-carboxamide
PubChem CID171095854
Molecular FormulaC20H14F3N5OS
Molecular Weight429.43 g/mol
Exact Mass429.09
IUPAC Name4-cyclopropyl-3-imidazo[1,2-a]pyridin-7-yl-N-[2-(trifluoromethyl)-4-pyridinyl]-1,2-thiazole-5-carboxamide
SMILESO=C(Nc1ccnc(C(F)(F)F)c1)c1snc(-c2ccn3ccnc3c2)c1C1CC1
InChIInChI=1S/C20H14F3N5OS/c21-20(22,23)14-10-13(3-5-24-14)26-19(29)18-16(11-1-2-11)17(27-30-18)12-4-7-28-8-6-25-15(28)9-12/h3-11H,1-2H2,(H,24,26,29)
InChIKeyAKEBUDHURCCTCV-UHFFFAOYSA-N
XLogP5.00
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.43
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3-imidazo[1,2-a]pyridin-7-yl-N-[2-(trifluoromethyl)-4-pyridinyl]-1,2-thiazole-5-carboxamide?
The IUPAC name of 4-cyclopropyl-3-imidazo[1,2-a]pyridin-7-yl-N-[2-(trifluoromethyl)-4-pyridinyl]-1,2-thiazole-5-carboxamide (CID 171095854) is 4-cyclopropyl-3-imidazo[1,2-a]pyridin-7-yl-N-[2-(trifluoromethyl)-4-pyridinyl]-1,2-thiazole-5-carboxamide.
What is the SMILES notation for 4-cyclopropyl-3-imidazo[1,2-a]pyridin-7-yl-N-[2-(trifluoromethyl)-4-pyridinyl]-1,2-thiazole-5-carboxamide?
The canonical SMILES for 4-cyclopropyl-3-imidazo[1,2-a]pyridin-7-yl-N-[2-(trifluoromethyl)-4-pyridinyl]-1,2-thiazole-5-carboxamide is O=C(Nc1ccnc(C(F)(F)F)c1)c1snc(-c2ccn3ccnc3c2)c1C1CC1.
What is the InChIKey of 4-cyclopropyl-3-imidazo[1,2-a]pyridin-7-yl-N-[2-(trifluoromethyl)-4-pyridinyl]-1,2-thiazole-5-carboxamide?
The InChIKey is AKEBUDHURCCTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5OS/c21-20(22,23)14-10-13(3-5-24-14)26-19(29)18-16(11-1-2-11)17(27-30-18)12-4-7-28-8-6-25-15(28)9-12/h3-11H,1-2H2,(H,24,26,29).
What are the key properties of 4-cyclopropyl-3-imidazo[1,2-a]pyridin-7-yl-N-[2-(trifluoromethyl)-4-pyridinyl]-1,2-thiazole-5-carboxamide?
4-cyclopropyl-3-imidazo[1,2-a]pyridin-7-yl-N-[2-(trifluoromethyl)-4-pyridinyl]-1,2-thiazole-5-carboxamide has a molecular weight of 429.43 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-imidazo[1,2-a]pyridin-7-yl-N-[2-(trifluoromethyl)-4-pyridinyl]-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 171095854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).