2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[2-(1-aminoisoquinolin-6-yl)ethyl]-1,3-thiazole-4-carboxamide

C27H25ClN8O2S — CID 137464970

IUPAC2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[2-(1-aminoisoquinolin-6-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESNc1nccc2cc(CCNC(=O)c3csc([C@@H]4C[C@@H](N)CN4C(=O)c4cn5cc(Cl)ccc5n4)n3)ccc12
InChIInChI=1S/C27H25ClN8O2S/c28-17-2-4-23-33-20(13-35(23)11-17)27(38)36-12-18(29)10-22(36)26-34-21(14-39-26)25(37)32-7-5-15-1-3-19-16(9-15)6-8-31-24(19)30/h1-4,6,8-9,11,13-14,18,22H,5,7,10,12,29H2,(H2,30,31)(H,32,37)/t18-,22+/m1/s1
InChIKeyGFDKMJFZUDZXRK-GCJKJVERSA-N
MW561.07 g/mol
LogP3.46
Rot. Bonds6

About 2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[2-(1-aminoisoquinolin-6-yl)ethyl]-1,3-thiazole-4-carboxamide

2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[2-(1-aminoisoquinolin-6-yl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 137464970) has the molecular formula C27H25ClN8O2S and a molecular weight of 561.07 g/mol. Its IUPAC name is 2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[2-(1-aminoisoquinolin-6-yl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[2-(1-aminoisoquinolin-6-yl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID137464970
Molecular FormulaC27H25ClN8O2S
Molecular Weight561.07 g/mol
Exact Mass560.15
IUPAC Name2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[2-(1-aminoisoquinolin-6-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESNc1nccc2cc(CCNC(=O)c3csc([C@@H]4C[C@@H](N)CN4C(=O)c4cn5cc(Cl)ccc5n4)n3)ccc12
InChIInChI=1S/C27H25ClN8O2S/c28-17-2-4-23-33-20(13-35(23)11-17)27(38)36-12-18(29)10-22(36)26-34-21(14-39-26)25(37)32-7-5-15-1-3-19-16(9-15)6-8-31-24(19)30/h1-4,6,8-9,11,13-14,18,22H,5,7,10,12,29H2,(H2,30,31)(H,32,37)/t18-,22+/m1/s1
InChIKeyGFDKMJFZUDZXRK-GCJKJVERSA-N
XLogP3.46
TPSA144.53 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.07
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[2-(1-aminoisoquinolin-6-yl)ethyl]-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[2-(1-aminoisoquinolin-6-yl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[2-(1-aminoisoquinolin-6-yl)ethyl]-1,3-thiazole-4-carboxamide (CID 137464970) is 2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[2-(1-aminoisoquinolin-6-yl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[2-(1-aminoisoquinolin-6-yl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[2-(1-aminoisoquinolin-6-yl)ethyl]-1,3-thiazole-4-carboxamide is Nc1nccc2cc(CCNC(=O)c3csc([C@@H]4C[C@@H](N)CN4C(=O)c4cn5cc(Cl)ccc5n4)n3)ccc12.
What is the InChIKey of 2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[2-(1-aminoisoquinolin-6-yl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is GFDKMJFZUDZXRK-GCJKJVERSA-N. The full InChI is InChI=1S/C27H25ClN8O2S/c28-17-2-4-23-33-20(13-35(23)11-17)27(38)36-12-18(29)10-22(36)26-34-21(14-39-26)25(37)32-7-5-15-1-3-19-16(9-15)6-8-31-24(19)30/h1-4,6,8-9,11,13-14,18,22H,5,7,10,12,29H2,(H2,30,31)(H,32,37)/t18-,22+/m1/s1.
What are the key properties of 2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[2-(1-aminoisoquinolin-6-yl)ethyl]-1,3-thiazole-4-carboxamide?
2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[2-(1-aminoisoquinolin-6-yl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 561.07 g/mol, XLogP of 3.46, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[2-(1-aminoisoquinolin-6-yl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 137464970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).