2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1,3-thiazole-4-carboxamide

C24H20Cl2N8O2S — CID 137465054

IUPAC2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESN[C@@H]1C[C@@H](c2nc(C(=O)NCc3ncn4ccc(Cl)cc34)cs2)N(C(=O)c2cn3cc(Cl)ccc3n2)C1
InChIInChI=1S/C24H20Cl2N8O2S/c25-13-3-4-32-12-29-16(19(32)5-13)7-28-22(35)18-11-37-23(31-18)20-6-15(27)9-34(20)24(36)17-10-33-8-14(26)1-2-21(33)30-17/h1-5,8,10-12,15,20H,6-7,9,27H2,(H,28,35)/t15-,20+/m1/s1
InChIKeyFKQMDAAKAOWPEB-QRWLVFNGSA-N
MW555.45 g/mol
LogP3.59
Rot. Bonds5

About 2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1,3-thiazole-4-carboxamide

2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 137465054) has the molecular formula C24H20Cl2N8O2S and a molecular weight of 555.45 g/mol. Its IUPAC name is 2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-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-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID137465054
Molecular FormulaC24H20Cl2N8O2S
Molecular Weight555.45 g/mol
Exact Mass554.08
IUPAC Name2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESN[C@@H]1C[C@@H](c2nc(C(=O)NCc3ncn4ccc(Cl)cc34)cs2)N(C(=O)c2cn3cc(Cl)ccc3n2)C1
InChIInChI=1S/C24H20Cl2N8O2S/c25-13-3-4-32-12-29-16(19(32)5-13)7-28-22(35)18-11-37-23(31-18)20-6-15(27)9-34(20)24(36)17-10-33-8-14(26)1-2-21(33)30-17/h1-5,8,10-12,15,20H,6-7,9,27H2,(H,28,35)/t15-,20+/m1/s1
InChIKeyFKQMDAAKAOWPEB-QRWLVFNGSA-N
XLogP3.59
TPSA122.92 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.45
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1,3-thiazole-4-carboxamide with MolForge

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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-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-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-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1,3-thiazole-4-carboxamide (CID 137465054) is 2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-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-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-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-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1,3-thiazole-4-carboxamide is N[C@@H]1C[C@@H](c2nc(C(=O)NCc3ncn4ccc(Cl)cc34)cs2)N(C(=O)c2cn3cc(Cl)ccc3n2)C1.
What is the InChIKey of 2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is FKQMDAAKAOWPEB-QRWLVFNGSA-N. The full InChI is InChI=1S/C24H20Cl2N8O2S/c25-13-3-4-32-12-29-16(19(32)5-13)7-28-22(35)18-11-37-23(31-18)20-6-15(27)9-34(20)24(36)17-10-33-8-14(26)1-2-21(33)30-17/h1-5,8,10-12,15,20H,6-7,9,27H2,(H,28,35)/t15-,20+/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-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1,3-thiazole-4-carboxamide?
2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 555.45 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 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-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 137465054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).