1-[2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazol-4-yl]-3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propan-1-one

C25H21Cl2N7O2S — CID 157308337

IUPAC1-[2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazol-4-yl]-3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propan-1-one
SMILESN[C@@H]1C[C@@H](c2nc(C(=O)CCc3ncn4ccc(Cl)cc34)cs2)N(C(=O)c2cn3cc(Cl)ccc3n2)C1
InChIInChI=1S/C25H21Cl2N7O2S/c26-14-5-6-32-13-29-17(20(32)7-14)2-3-22(35)19-12-37-24(31-19)21-8-16(28)10-34(21)25(36)18-11-33-9-15(27)1-4-23(33)30-18/h1,4-7,9,11-13,16,21H,2-3,8,10,28H2/t16-,21+/m1/s1
InChIKeyBCTDFHDZMUEPGA-IERDGZPVSA-N
MW554.46 g/mol
LogP4.48
Rot. Bonds6

About 1-[2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazol-4-yl]-3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propan-1-one

1-[2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazol-4-yl]-3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propan-1-one (PubChem CID 157308337) has the molecular formula C25H21Cl2N7O2S and a molecular weight of 554.46 g/mol. Its IUPAC name is 1-[2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazol-4-yl]-3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazol-4-yl]-3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propan-1-one
PubChem CID157308337
Molecular FormulaC25H21Cl2N7O2S
Molecular Weight554.46 g/mol
Exact Mass553.09
IUPAC Name1-[2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazol-4-yl]-3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propan-1-one
SMILESN[C@@H]1C[C@@H](c2nc(C(=O)CCc3ncn4ccc(Cl)cc34)cs2)N(C(=O)c2cn3cc(Cl)ccc3n2)C1
InChIInChI=1S/C25H21Cl2N7O2S/c26-14-5-6-32-13-29-17(20(32)7-14)2-3-22(35)19-12-37-24(31-19)21-8-16(28)10-34(21)25(36)18-11-33-9-15(27)1-4-23(33)30-18/h1,4-7,9,11-13,16,21H,2-3,8,10,28H2/t16-,21+/m1/s1
InChIKeyBCTDFHDZMUEPGA-IERDGZPVSA-N
XLogP4.48
TPSA110.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.46
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazol-4-yl]-3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propan-1-one with MolForge

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Related Compounds

cis-1,2-Diaminocyclohexane derivative, 8a
CID 44520907
US11168083, Example 49
CID 137464965
US11168083, Example 53
CID 137464970
US11168083, Example 22
CID 137464973
US11168083, Example 51
CID 137464984
US11168083, Example 11
CID 137465010
US11168083, Example 48
CID 137465043
US11168083, Example 13
CID 137465046
US11168083, Example 55
CID 137465054
US11168083, Example 47
CID 137465056
US11168083, Example 46
CID 137465077
US11168083, Example 24
CID 137465101

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazol-4-yl]-3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propan-1-one?
The IUPAC name of 1-[2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazol-4-yl]-3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propan-1-one (CID 157308337) is 1-[2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazol-4-yl]-3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propan-1-one.
What is the SMILES notation for 1-[2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazol-4-yl]-3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propan-1-one?
The canonical SMILES for 1-[2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazol-4-yl]-3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propan-1-one is N[C@@H]1C[C@@H](c2nc(C(=O)CCc3ncn4ccc(Cl)cc34)cs2)N(C(=O)c2cn3cc(Cl)ccc3n2)C1.
What is the InChIKey of 1-[2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazol-4-yl]-3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propan-1-one?
The InChIKey is BCTDFHDZMUEPGA-IERDGZPVSA-N. The full InChI is InChI=1S/C25H21Cl2N7O2S/c26-14-5-6-32-13-29-17(20(32)7-14)2-3-22(35)19-12-37-24(31-19)21-8-16(28)10-34(21)25(36)18-11-33-9-15(27)1-4-23(33)30-18/h1,4-7,9,11-13,16,21H,2-3,8,10,28H2/t16-,21+/m1/s1.
What are the key properties of 1-[2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazol-4-yl]-3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propan-1-one?
1-[2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazol-4-yl]-3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propan-1-one has a molecular weight of 554.46 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazol-4-yl]-3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propan-1-one is sourced from PubChem (CID 157308337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).