N-[7-(3,5-difluorophenyl)-2-(2-methylsulfonylethyl)imidazo[1,2-a]pyridin-6-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide

C27H22F2N4O4S — CID 167699762

IUPACN-[7-(3,5-difluorophenyl)-2-(2-methylsulfonylethyl)imidazo[1,2-a]pyridin-6-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCc1cccc(-c2nc(C(=O)Nc3cn4cc(CCS(C)(=O)=O)nc4cc3-c3cc(F)cc(F)c3)co2)c1
InChIInChI=1S/C27H22F2N4O4S/c1-16-4-3-5-17(8-16)27-32-24(15-37-27)26(34)31-23-14-33-13-21(6-7-38(2,35)36)30-25(33)12-22(23)18-9-19(28)11-20(29)10-18/h3-5,8-15H,6-7H2,1-2H3,(H,31,34)
InChIKeyPZRXMLZWDCXUCI-UHFFFAOYSA-N
MW536.56 g/mol
LogP5.08
Rot. Bonds7

About N-[7-(3,5-difluorophenyl)-2-(2-methylsulfonylethyl)imidazo[1,2-a]pyridin-6-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide

N-[7-(3,5-difluorophenyl)-2-(2-methylsulfonylethyl)imidazo[1,2-a]pyridin-6-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 167699762) has the molecular formula C27H22F2N4O4S and a molecular weight of 536.56 g/mol. Its IUPAC name is N-[7-(3,5-difluorophenyl)-2-(2-methylsulfonylethyl)imidazo[1,2-a]pyridin-6-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[7-(3,5-difluorophenyl)-2-(2-methylsulfonylethyl)imidazo[1,2-a]pyridin-6-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID167699762
Molecular FormulaC27H22F2N4O4S
Molecular Weight536.56 g/mol
Exact Mass536.13
IUPAC NameN-[7-(3,5-difluorophenyl)-2-(2-methylsulfonylethyl)imidazo[1,2-a]pyridin-6-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCc1cccc(-c2nc(C(=O)Nc3cn4cc(CCS(C)(=O)=O)nc4cc3-c3cc(F)cc(F)c3)co2)c1
InChIInChI=1S/C27H22F2N4O4S/c1-16-4-3-5-17(8-16)27-32-24(15-37-27)26(34)31-23-14-33-13-21(6-7-38(2,35)36)30-25(33)12-22(23)18-9-19(28)11-20(29)10-18/h3-5,8-15H,6-7H2,1-2H3,(H,31,34)
InChIKeyPZRXMLZWDCXUCI-UHFFFAOYSA-N
XLogP5.08
TPSA106.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.56
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[7-(3,5-difluorophenyl)-2-(2-methylsulfonylethyl)imidazo[1,2-a]pyridin-6-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[7-(3,5-difluorophenyl)-2-(2-methylsulfonylethyl)imidazo[1,2-a]pyridin-6-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide (CID 167699762) is N-[7-(3,5-difluorophenyl)-2-(2-methylsulfonylethyl)imidazo[1,2-a]pyridin-6-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[7-(3,5-difluorophenyl)-2-(2-methylsulfonylethyl)imidazo[1,2-a]pyridin-6-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[7-(3,5-difluorophenyl)-2-(2-methylsulfonylethyl)imidazo[1,2-a]pyridin-6-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide is Cc1cccc(-c2nc(C(=O)Nc3cn4cc(CCS(C)(=O)=O)nc4cc3-c3cc(F)cc(F)c3)co2)c1.
What is the InChIKey of N-[7-(3,5-difluorophenyl)-2-(2-methylsulfonylethyl)imidazo[1,2-a]pyridin-6-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is PZRXMLZWDCXUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F2N4O4S/c1-16-4-3-5-17(8-16)27-32-24(15-37-27)26(34)31-23-14-33-13-21(6-7-38(2,35)36)30-25(33)12-22(23)18-9-19(28)11-20(29)10-18/h3-5,8-15H,6-7H2,1-2H3,(H,31,34).
What are the key properties of N-[7-(3,5-difluorophenyl)-2-(2-methylsulfonylethyl)imidazo[1,2-a]pyridin-6-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
N-[7-(3,5-difluorophenyl)-2-(2-methylsulfonylethyl)imidazo[1,2-a]pyridin-6-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 536.56 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(3,5-difluorophenyl)-2-(2-methylsulfonylethyl)imidazo[1,2-a]pyridin-6-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 167699762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).