4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide

C29H30N8O4S — CID 71282181

IUPAC4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide
SMILESCc1nc(-c2ccc(C)c(NC(=O)c3cnc4ccc(-c5sc(C(=O)NCCN6CCOCC6)nc5C)cn34)c2)no1
InChIInChI=1S/C29H30N8O4S/c1-17-4-5-20(26-33-19(3)41-35-26)14-22(17)34-27(38)23-15-31-24-7-6-21(16-37(23)24)25-18(2)32-29(42-25)28(39)30-8-9-36-10-12-40-13-11-36/h4-7,14-16H,8-13H2,1-3H3,(H,30,39)(H,34,38)
InChIKeyFHTGQOWLKCFUJN-UHFFFAOYSA-N
MW586.68 g/mol
LogP3.75
Rot. Bonds8

About 4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide

4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide (PubChem CID 71282181) has the molecular formula C29H30N8O4S and a molecular weight of 586.68 g/mol. Its IUPAC name is 4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide
PubChem CID71282181
Molecular FormulaC29H30N8O4S
Molecular Weight586.68 g/mol
Exact Mass586.21
IUPAC Name4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide
SMILESCc1nc(-c2ccc(C)c(NC(=O)c3cnc4ccc(-c5sc(C(=O)NCCN6CCOCC6)nc5C)cn34)c2)no1
InChIInChI=1S/C29H30N8O4S/c1-17-4-5-20(26-33-19(3)41-35-26)14-22(17)34-27(38)23-15-31-24-7-6-21(16-37(23)24)25-18(2)32-29(42-25)28(39)30-8-9-36-10-12-40-13-11-36/h4-7,14-16H,8-13H2,1-3H3,(H,30,39)(H,34,38)
InChIKeyFHTGQOWLKCFUJN-UHFFFAOYSA-N
XLogP3.75
TPSA139.78 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.68
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide (CID 71282181) is 4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide is Cc1nc(-c2ccc(C)c(NC(=O)c3cnc4ccc(-c5sc(C(=O)NCCN6CCOCC6)nc5C)cn34)c2)no1.
What is the InChIKey of 4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide?
The InChIKey is FHTGQOWLKCFUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N8O4S/c1-17-4-5-20(26-33-19(3)41-35-26)14-22(17)34-27(38)23-15-31-24-7-6-21(16-37(23)24)25-18(2)32-29(42-25)28(39)30-8-9-36-10-12-40-13-11-36/h4-7,14-16H,8-13H2,1-3H3,(H,30,39)(H,34,38).
What are the key properties of 4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide?
4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide has a molecular weight of 586.68 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 71282181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).