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

C27H22F2N6O4S — CID 167217423

IUPAC2-[2-[(3R)-4-(3,4-difluorophenyl)-5-oxomorpholin-3-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1cnc(-c2c([C@@H]3COCC(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4c(C)noc4C)ccn23)s1
InChIInChI=1S/C27H22F2N6O4S/c1-13-23(14(2)39-33-13)15-6-7-34-21(8-15)32-24(25(34)27-31-10-20(40-27)26(37)30-3)19-11-38-12-22(36)35(19)16-4-5-17(28)18(29)9-16/h4-10,19H,11-12H2,1-3H3,(H,30,37)/t19-/m0/s1
InChIKeyNWXCYQHOZZERJV-IBGZPJMESA-N
MW564.57 g/mol
LogP4.47
Rot. Bonds5

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

2-[2-[(3R)-4-(3,4-difluorophenyl)-5-oxomorpholin-3-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazole-5-carboxamide (PubChem CID 167217423) has the molecular formula C27H22F2N6O4S and a molecular weight of 564.57 g/mol. Its IUPAC name is 2-[2-[(3R)-4-(3,4-difluorophenyl)-5-oxomorpholin-3-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[2-[(3R)-4-(3,4-difluorophenyl)-5-oxomorpholin-3-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazole-5-carboxamide
PubChem CID167217423
Molecular FormulaC27H22F2N6O4S
Molecular Weight564.57 g/mol
Exact Mass564.14
IUPAC Name2-[2-[(3R)-4-(3,4-difluorophenyl)-5-oxomorpholin-3-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1cnc(-c2c([C@@H]3COCC(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4c(C)noc4C)ccn23)s1
InChIInChI=1S/C27H22F2N6O4S/c1-13-23(14(2)39-33-13)15-6-7-34-21(8-15)32-24(25(34)27-31-10-20(40-27)26(37)30-3)19-11-38-12-22(36)35(19)16-4-5-17(28)18(29)9-16/h4-10,19H,11-12H2,1-3H3,(H,30,37)/t19-/m0/s1
InChIKeyNWXCYQHOZZERJV-IBGZPJMESA-N
XLogP4.47
TPSA114.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.57
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3R)-4-(3,4-difluorophenyl)-5-oxomorpholin-3-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[2-[(3R)-4-(3,4-difluorophenyl)-5-oxomorpholin-3-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazole-5-carboxamide (CID 167217423) is 2-[2-[(3R)-4-(3,4-difluorophenyl)-5-oxomorpholin-3-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[2-[(3R)-4-(3,4-difluorophenyl)-5-oxomorpholin-3-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[2-[(3R)-4-(3,4-difluorophenyl)-5-oxomorpholin-3-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazole-5-carboxamide is CNC(=O)c1cnc(-c2c([C@@H]3COCC(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4c(C)noc4C)ccn23)s1.
What is the InChIKey of 2-[2-[(3R)-4-(3,4-difluorophenyl)-5-oxomorpholin-3-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is NWXCYQHOZZERJV-IBGZPJMESA-N. The full InChI is InChI=1S/C27H22F2N6O4S/c1-13-23(14(2)39-33-13)15-6-7-34-21(8-15)32-24(25(34)27-31-10-20(40-27)26(37)30-3)19-11-38-12-22(36)35(19)16-4-5-17(28)18(29)9-16/h4-10,19H,11-12H2,1-3H3,(H,30,37)/t19-/m0/s1.
What are the key properties of 2-[2-[(3R)-4-(3,4-difluorophenyl)-5-oxomorpholin-3-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazole-5-carboxamide?
2-[2-[(3R)-4-(3,4-difluorophenyl)-5-oxomorpholin-3-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 564.57 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3R)-4-(3,4-difluorophenyl)-5-oxomorpholin-3-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 167217423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).