5-[2-[1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,2-thiazole-3-carboxamide

C28H24F2N6O3S — CID 167217862

IUPAC5-[2-[1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,2-thiazole-3-carboxamide
SMILESCNC(=O)c1cc(-c2c(C3CCCC(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4c(C)noc4C)ccn23)sn1
InChIInChI=1S/C28H24F2N6O3S/c1-14-25(15(2)39-33-14)16-9-10-35-23(11-16)32-26(27(35)22-13-20(34-40-22)28(38)31-3)21-5-4-6-24(37)36(21)17-7-8-18(29)19(30)12-17/h7-13,21H,4-6H2,1-3H3,(H,31,38)
InChIKeyWFYNDUQYZXTOKI-UHFFFAOYSA-N
MW562.60 g/mol
LogP5.63
Rot. Bonds5

About 5-[2-[1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,2-thiazole-3-carboxamide

5-[2-[1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,2-thiazole-3-carboxamide (PubChem CID 167217862) has the molecular formula C28H24F2N6O3S and a molecular weight of 562.60 g/mol. Its IUPAC name is 5-[2-[1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound Name5-[2-[1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,2-thiazole-3-carboxamide
PubChem CID167217862
Molecular FormulaC28H24F2N6O3S
Molecular Weight562.60 g/mol
Exact Mass562.16
IUPAC Name5-[2-[1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,2-thiazole-3-carboxamide
SMILESCNC(=O)c1cc(-c2c(C3CCCC(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4c(C)noc4C)ccn23)sn1
InChIInChI=1S/C28H24F2N6O3S/c1-14-25(15(2)39-33-14)16-9-10-35-23(11-16)32-26(27(35)22-13-20(34-40-22)28(38)31-3)21-5-4-6-24(37)36(21)17-7-8-18(29)19(30)12-17/h7-13,21H,4-6H2,1-3H3,(H,31,38)
InChIKeyWFYNDUQYZXTOKI-UHFFFAOYSA-N
XLogP5.63
TPSA105.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.60
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[2-[1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,2-thiazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,2-thiazole-3-carboxamide?
The IUPAC name of 5-[2-[1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,2-thiazole-3-carboxamide (CID 167217862) is 5-[2-[1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,2-thiazole-3-carboxamide.
What is the SMILES notation for 5-[2-[1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,2-thiazole-3-carboxamide?
The canonical SMILES for 5-[2-[1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,2-thiazole-3-carboxamide is CNC(=O)c1cc(-c2c(C3CCCC(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4c(C)noc4C)ccn23)sn1.
What is the InChIKey of 5-[2-[1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,2-thiazole-3-carboxamide?
The InChIKey is WFYNDUQYZXTOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F2N6O3S/c1-14-25(15(2)39-33-14)16-9-10-35-23(11-16)32-26(27(35)22-13-20(34-40-22)28(38)31-3)21-5-4-6-24(37)36(21)17-7-8-18(29)19(30)12-17/h7-13,21H,4-6H2,1-3H3,(H,31,38).
What are the key properties of 5-[2-[1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,2-thiazole-3-carboxamide?
5-[2-[1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,2-thiazole-3-carboxamide has a molecular weight of 562.60 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 167217862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).