2-[1-(6-methoxyimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide

C20H22N6O4S — CID 137473096

IUPAC2-[1-(6-methoxyimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide
SMILESCNC(=O)CNC(=O)c1csc(C2CCCN2C(=O)c2cn3cc(OC)ccc3n2)n1
InChIInChI=1S/C20H22N6O4S/c1-21-17(27)8-22-18(28)14-11-31-19(24-14)15-4-3-7-26(15)20(29)13-10-25-9-12(30-2)5-6-16(25)23-13/h5-6,9-11,15H,3-4,7-8H2,1-2H3,(H,21,27)(H,22,28)
InChIKeyMUWRJMHZUJEXAM-UHFFFAOYSA-N
MW442.50 g/mol
LogP1.25
Rot. Bonds6

About 2-[1-(6-methoxyimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide

2-[1-(6-methoxyimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide (PubChem CID 137473096) has the molecular formula C20H22N6O4S and a molecular weight of 442.50 g/mol. Its IUPAC name is 2-[1-(6-methoxyimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-(6-methoxyimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide
PubChem CID137473096
Molecular FormulaC20H22N6O4S
Molecular Weight442.50 g/mol
Exact Mass442.14
IUPAC Name2-[1-(6-methoxyimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide
SMILESCNC(=O)CNC(=O)c1csc(C2CCCN2C(=O)c2cn3cc(OC)ccc3n2)n1
InChIInChI=1S/C20H22N6O4S/c1-21-17(27)8-22-18(28)14-11-31-19(24-14)15-4-3-7-26(15)20(29)13-10-25-9-12(30-2)5-6-16(25)23-13/h5-6,9-11,15H,3-4,7-8H2,1-2H3,(H,21,27)(H,22,28)
InChIKeyMUWRJMHZUJEXAM-UHFFFAOYSA-N
XLogP1.25
TPSA117.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[1-(imidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide
CID 137473009
2-[4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide
CID 137473030
(3-chlorophenyl)methyl 2-[4-[[2-(methylamino)-2-oxoethyl]carbamoyl]-1,3-thiazol-2-yl]pyrrolidine-1-carboxylate
CID 137473092
2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[(2S)-6-(diaminomethylideneamino)-1-(methylamino)-1-oxohexan-2-yl]-1,3-thiazole-4-carboxamide
CID 137473003
(6-chloroimidazo[1,2-a]pyridin-2-yl)-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 46974535
methyl 2-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]pyridine-4-carboxylate
CID 57496019
1-[2-[1-(1,2-dimethylimidazole-4-carbonyl)pyrrolidin-2-yl]-1,3-thiazol-4-yl]ethanone
CID 137473011
cyclohexane;ethene;2-(methylamino)-N-[3-[2-[4-(4-methylbenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]but-3-en-2-yl]acetamide
CID 155726247
[6-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]-[2-(3,4-difluoro-5-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 166313993
propyl 2-[1-[(Z)-3-(dimethylamino)-2-(methylamino)prop-2-enoyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
CID 137473086
ethane;2-[1-[2-methyl-1-(2-methylprop-1-enyl)imidazole-4-carbonyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid
CID 142525850
[2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 56820329

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-methoxyimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[1-(6-methoxyimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide (CID 137473096) is 2-[1-(6-methoxyimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[1-(6-methoxyimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[1-(6-methoxyimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide is CNC(=O)CNC(=O)c1csc(C2CCCN2C(=O)c2cn3cc(OC)ccc3n2)n1.
What is the InChIKey of 2-[1-(6-methoxyimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is MUWRJMHZUJEXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O4S/c1-21-17(27)8-22-18(28)14-11-31-19(24-14)15-4-3-7-26(15)20(29)13-10-25-9-12(30-2)5-6-16(25)23-13/h5-6,9-11,15H,3-4,7-8H2,1-2H3,(H,21,27)(H,22,28).
What are the key properties of 2-[1-(6-methoxyimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide?
2-[1-(6-methoxyimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 442.50 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-methoxyimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 137473096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).