3-[(2R)-1-(7-cyanoimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide

C27H25N7O2S — CID 87091815

IUPAC3-[(2R)-1-(7-cyanoimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
SMILESCN1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4cn5ccc(C#N)cc5n4)c3)sc2C1
InChIInChI=1S/C27H25N7O2S/c1-32-10-8-20-23(16-32)37-27(30-20)31-25(35)19-5-2-4-18(13-19)22-6-3-9-34(22)26(36)21-15-33-11-7-17(14-28)12-24(33)29-21/h2,4-5,7,11-13,15,22H,3,6,8-10,16H2,1H3,(H,30,31,35)/t22-/m1/s1
InChIKeyJFLRXHPSPWGTNG-JOCHJYFZSA-N
MW511.61 g/mol
LogP3.88
Rot. Bonds4

About 3-[(2R)-1-(7-cyanoimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide

3-[(2R)-1-(7-cyanoimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide (PubChem CID 87091815) has the molecular formula C27H25N7O2S and a molecular weight of 511.61 g/mol. Its IUPAC name is 3-[(2R)-1-(7-cyanoimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide.

Molecular Properties

Compound Name3-[(2R)-1-(7-cyanoimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
PubChem CID87091815
Molecular FormulaC27H25N7O2S
Molecular Weight511.61 g/mol
Exact Mass511.18
IUPAC Name3-[(2R)-1-(7-cyanoimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
SMILESCN1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4cn5ccc(C#N)cc5n4)c3)sc2C1
InChIInChI=1S/C27H25N7O2S/c1-32-10-8-20-23(16-32)37-27(30-20)31-25(35)19-5-2-4-18(13-19)22-6-3-9-34(22)26(36)21-15-33-11-7-17(14-28)12-24(33)29-21/h2,4-5,7,11-13,15,22H,3,6,8-10,16H2,1H3,(H,30,31,35)/t22-/m1/s1
InChIKeyJFLRXHPSPWGTNG-JOCHJYFZSA-N
XLogP3.88
TPSA106.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.61
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-(7-cyanoimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide?
The IUPAC name of 3-[(2R)-1-(7-cyanoimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide (CID 87091815) is 3-[(2R)-1-(7-cyanoimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide.
What is the SMILES notation for 3-[(2R)-1-(7-cyanoimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide?
The canonical SMILES for 3-[(2R)-1-(7-cyanoimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide is CN1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4cn5ccc(C#N)cc5n4)c3)sc2C1.
What is the InChIKey of 3-[(2R)-1-(7-cyanoimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide?
The InChIKey is JFLRXHPSPWGTNG-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H25N7O2S/c1-32-10-8-20-23(16-32)37-27(30-20)31-25(35)19-5-2-4-18(13-19)22-6-3-9-34(22)26(36)21-15-33-11-7-17(14-28)12-24(33)29-21/h2,4-5,7,11-13,15,22H,3,6,8-10,16H2,1H3,(H,30,31,35)/t22-/m1/s1.
What are the key properties of 3-[(2R)-1-(7-cyanoimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide?
3-[(2R)-1-(7-cyanoimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide has a molecular weight of 511.61 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-(7-cyanoimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide is sourced from PubChem (CID 87091815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).