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-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2-carboxamide

C30H33N9O3S — CID 71282166

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-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2-carboxamide
SMILESCc1nc(-c2ccc(C)c(NC(=O)c3cnc4ccc(-c5sc(C(=O)NCCN6CCN(C)CC6)nc5C)cn34)c2)no1
InChIInChI=1S/C30H33N9O3S/c1-18-5-6-21(27-34-20(3)42-36-27)15-23(18)35-28(40)24-16-32-25-8-7-22(17-39(24)25)26-19(2)33-30(43-26)29(41)31-9-10-38-13-11-37(4)12-14-38/h5-8,15-17H,9-14H2,1-4H3,(H,31,41)(H,35,40)
InChIKeyCMKYGEGHUCCMJZ-UHFFFAOYSA-N
MW599.72 g/mol
LogP3.66
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-(4-methylpiperazin-1-yl)ethyl]-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-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2-carboxamide (PubChem CID 71282166) has the molecular formula C30H33N9O3S and a molecular weight of 599.72 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-(4-methylpiperazin-1-yl)ethyl]-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-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2-carboxamide
PubChem CID71282166
Molecular FormulaC30H33N9O3S
Molecular Weight599.72 g/mol
Exact Mass599.24
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-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2-carboxamide
SMILESCc1nc(-c2ccc(C)c(NC(=O)c3cnc4ccc(-c5sc(C(=O)NCCN6CCN(C)CC6)nc5C)cn34)c2)no1
InChIInChI=1S/C30H33N9O3S/c1-18-5-6-21(27-34-20(3)42-36-27)15-23(18)35-28(40)24-16-32-25-8-7-22(17-39(24)25)26-19(2)33-30(43-26)29(41)31-9-10-38-13-11-37(4)12-14-38/h5-8,15-17H,9-14H2,1-4H3,(H,31,41)(H,35,40)
InChIKeyCMKYGEGHUCCMJZ-UHFFFAOYSA-N
XLogP3.66
TPSA133.79 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.72
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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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-(4-methylpiperazin-1-yl)ethyl]-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-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2-carboxamide (CID 71282166) 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-(4-methylpiperazin-1-yl)ethyl]-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-(4-methylpiperazin-1-yl)ethyl]-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-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2-carboxamide is Cc1nc(-c2ccc(C)c(NC(=O)c3cnc4ccc(-c5sc(C(=O)NCCN6CCN(C)CC6)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-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2-carboxamide?
The InChIKey is CMKYGEGHUCCMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N9O3S/c1-18-5-6-21(27-34-20(3)42-36-27)15-23(18)35-28(40)24-16-32-25-8-7-22(17-39(24)25)26-19(2)33-30(43-26)29(41)31-9-10-38-13-11-37(4)12-14-38/h5-8,15-17H,9-14H2,1-4H3,(H,31,41)(H,35,40).
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-(4-methylpiperazin-1-yl)ethyl]-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-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2-carboxamide has a molecular weight of 599.72 g/mol, XLogP of 3.66, 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-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 71282166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).