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,N-dimethyl-1,2-thiazole-3-carboxamide

C29H26F2N6O3S — CID 167217170

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,N-dimethyl-1,2-thiazole-3-carboxamide
SMILESCc1noc(C)c1-c1ccn2c(-c3cc(C(=O)N(C)C)ns3)c(C3CCCC(=O)N3c3ccc(F)c(F)c3)nc2c1
InChIInChI=1S/C29H26F2N6O3S/c1-15-26(16(2)40-33-15)17-10-11-36-24(12-17)32-27(28(36)23-14-21(34-41-23)29(39)35(3)4)22-6-5-7-25(38)37(22)18-8-9-19(30)20(31)13-18/h8-14,22H,5-7H2,1-4H3
InChIKeyNDGXUEQLDRDQRP-UHFFFAOYSA-N
MW576.63 g/mol
LogP5.97
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,N-dimethyl-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,N-dimethyl-1,2-thiazole-3-carboxamide (PubChem CID 167217170) has the molecular formula C29H26F2N6O3S and a molecular weight of 576.63 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,N-dimethyl-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,N-dimethyl-1,2-thiazole-3-carboxamide
PubChem CID167217170
Molecular FormulaC29H26F2N6O3S
Molecular Weight576.63 g/mol
Exact Mass576.18
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,N-dimethyl-1,2-thiazole-3-carboxamide
SMILESCc1noc(C)c1-c1ccn2c(-c3cc(C(=O)N(C)C)ns3)c(C3CCCC(=O)N3c3ccc(F)c(F)c3)nc2c1
InChIInChI=1S/C29H26F2N6O3S/c1-15-26(16(2)40-33-15)17-10-11-36-24(12-17)32-27(28(36)23-14-21(34-41-23)29(39)35(3)4)22-6-5-7-25(38)37(22)18-8-9-19(30)20(31)13-18/h8-14,22H,5-7H2,1-4H3
InChIKeyNDGXUEQLDRDQRP-UHFFFAOYSA-N
XLogP5.97
TPSA96.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.63
LogP ≤ 55.97
H-Bond Donors ≤ 50
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,N-dimethyl-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,N-dimethyl-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,N-dimethyl-1,2-thiazole-3-carboxamide (CID 167217170) 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,N-dimethyl-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,N-dimethyl-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,N-dimethyl-1,2-thiazole-3-carboxamide is Cc1noc(C)c1-c1ccn2c(-c3cc(C(=O)N(C)C)ns3)c(C3CCCC(=O)N3c3ccc(F)c(F)c3)nc2c1.
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,N-dimethyl-1,2-thiazole-3-carboxamide?
The InChIKey is NDGXUEQLDRDQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F2N6O3S/c1-15-26(16(2)40-33-15)17-10-11-36-24(12-17)32-27(28(36)23-14-21(34-41-23)29(39)35(3)4)22-6-5-7-25(38)37(22)18-8-9-19(30)20(31)13-18/h8-14,22H,5-7H2,1-4H3.
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,N-dimethyl-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,N-dimethyl-1,2-thiazole-3-carboxamide has a molecular weight of 576.63 g/mol, XLogP of 5.97, 5 rotatable bonds, 0 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,N-dimethyl-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 167217170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).