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

C19H20ClN7O3S — CID 137473030

IUPAC2-[4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide
SMILESCNC(=O)CNC(=O)c1csc(C2CC(N)CN2C(=O)c2cn3cc(Cl)ccc3n2)n1
InChIInChI=1S/C19H20ClN7O3S/c1-22-16(28)5-23-17(29)13-9-31-18(25-13)14-4-11(21)7-27(14)19(30)12-8-26-6-10(20)2-3-15(26)24-12/h2-3,6,8-9,11,14H,4-5,7,21H2,1H3,(H,22,28)(H,23,29)
InChIKeyGXYXWEAXDHVSBF-UHFFFAOYSA-N
MW461.94 g/mol
LogP0.83
Rot. Bonds5

About 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

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 (PubChem CID 137473030) has the molecular formula C19H20ClN7O3S and a molecular weight of 461.94 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide
PubChem CID137473030
Molecular FormulaC19H20ClN7O3S
Molecular Weight461.94 g/mol
Exact Mass461.10
IUPAC Name2-[4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide
SMILESCNC(=O)CNC(=O)c1csc(C2CC(N)CN2C(=O)c2cn3cc(Cl)ccc3n2)n1
InChIInChI=1S/C19H20ClN7O3S/c1-22-16(28)5-23-17(29)13-9-31-18(25-13)14-4-11(21)7-27(14)19(30)12-8-26-6-10(20)2-3-15(26)24-12/h2-3,6,8-9,11,14H,4-5,7,21H2,1H3,(H,22,28)(H,23,29)
InChIKeyGXYXWEAXDHVSBF-UHFFFAOYSA-N
XLogP0.83
TPSA134.72 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.94
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNC(=O)CNC(=O)c1csc(C2CC(N)CN2C(=O)c2cn3cc(Cl)ccc3n2)n1.
What is the InChIKey of 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?
The InChIKey is GXYXWEAXDHVSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN7O3S/c1-22-16(28)5-23-17(29)13-9-31-18(25-13)14-4-11(21)7-27(14)19(30)12-8-26-6-10(20)2-3-15(26)24-12/h2-3,6,8-9,11,14H,4-5,7,21H2,1H3,(H,22,28)(H,23,29).
What are the key properties of 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?
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 has a molecular weight of 461.94 g/mol, XLogP of 0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 137473030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).