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

C24H25ClN8O2S — CID 137465043

IUPAC2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1csc([C@@H]2C[C@@H](N)CN2C(=O)c2cn3cc(Cl)ccc3n2)n1
InChIInChI=1S/C24H25ClN8O2S/c1-12-5-20(27)29-13(2)16(12)7-28-22(34)18-11-36-23(31-18)19-6-15(26)9-33(19)24(35)17-10-32-8-14(25)3-4-21(32)30-17/h3-5,8,10-11,15,19H,6-7,9,26H2,1-2H3,(H2,27,29)(H,28,34)/t15-,19+/m1/s1
InChIKeyNIKWDISSLUKVAJ-BEFAXECRSA-N
MW525.04 g/mol
LogP2.88
Rot. Bonds5

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

2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 137465043) has the molecular formula C24H25ClN8O2S and a molecular weight of 525.04 g/mol. Its IUPAC name is 2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[(6-amino-2,4-dimethyl-3-pyridinyl)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-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID137465043
Molecular FormulaC24H25ClN8O2S
Molecular Weight525.04 g/mol
Exact Mass524.15
IUPAC Name2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1csc([C@@H]2C[C@@H](N)CN2C(=O)c2cn3cc(Cl)ccc3n2)n1
InChIInChI=1S/C24H25ClN8O2S/c1-12-5-20(27)29-13(2)16(12)7-28-22(34)18-11-36-23(31-18)19-6-15(26)9-33(19)24(35)17-10-32-8-14(25)3-4-21(32)30-17/h3-5,8,10-11,15,19H,6-7,9,26H2,1-2H3,(H2,27,29)(H,28,34)/t15-,19+/m1/s1
InChIKeyNIKWDISSLUKVAJ-BEFAXECRSA-N
XLogP2.88
TPSA144.53 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.04
LogP ≤ 52.88
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-[(6-amino-2,4-dimethyl-3-pyridinyl)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-[(6-amino-2,4-dimethyl-3-pyridinyl)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-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide (CID 137465043) is 2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[(6-amino-2,4-dimethyl-3-pyridinyl)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-[(6-amino-2,4-dimethyl-3-pyridinyl)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-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1csc([C@@H]2C[C@@H](N)CN2C(=O)c2cn3cc(Cl)ccc3n2)n1.
What is the InChIKey of 2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is NIKWDISSLUKVAJ-BEFAXECRSA-N. The full InChI is InChI=1S/C24H25ClN8O2S/c1-12-5-20(27)29-13(2)16(12)7-28-22(34)18-11-36-23(31-18)19-6-15(26)9-33(19)24(35)17-10-32-8-14(25)3-4-21(32)30-17/h3-5,8,10-11,15,19H,6-7,9,26H2,1-2H3,(H2,27,29)(H,28,34)/t15-,19+/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-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide?
2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 525.04 g/mol, XLogP of 2.88, 5 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-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 137465043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).