(2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide

C18H16FN3OS — CID 41433682

IUPAC(2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide
SMILESO=C(NC1CC1)[C@H](Sc1ncc2ccccn12)c1ccc(F)cc1
InChIInChI=1S/C18H16FN3OS/c19-13-6-4-12(5-7-13)16(17(23)21-14-8-9-14)24-18-20-11-15-3-1-2-10-22(15)18/h1-7,10-11,14,16H,8-9H2,(H,21,23)/t16-/m1/s1
InChIKeyPAJAVRSRJXGRJP-MRXNPFEDSA-N
MW341.41 g/mol
LogP3.59
Rot. Bonds5

About (2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide

(2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide (PubChem CID 41433682) has the molecular formula C18H16FN3OS and a molecular weight of 341.41 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide
PubChem CID41433682
Molecular FormulaC18H16FN3OS
Molecular Weight341.41 g/mol
Exact Mass341.10
IUPAC Name(2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide
SMILESO=C(NC1CC1)[C@H](Sc1ncc2ccccn12)c1ccc(F)cc1
InChIInChI=1S/C18H16FN3OS/c19-13-6-4-12(5-7-13)16(17(23)21-14-8-9-14)24-18-20-11-15-3-1-2-10-22(15)18/h1-7,10-11,14,16H,8-9H2,(H,21,23)/t16-/m1/s1
InChIKeyPAJAVRSRJXGRJP-MRXNPFEDSA-N
XLogP3.59
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-(4-fluorophenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 16601843
N-cyclopropyl-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-2-(4-fluorophenyl)acetamide
CID 16589309
N-cyclopropyl-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(4-fluorophenyl)acetamide
CID 17443709
(2S)-N-cyclopropyl-2-(4-fluorophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 40790131
N-cyclopropyl-2-phenyl-2-(1-phenylimidazol-2-yl)sulfanylacetamide
CID 42944870
N-cyclopropyl-2-(4-fluorophenyl)-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16594395
2-[[4-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-2-(4-fluorophenyl)acetamide
CID 16594057
2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-piperidin-4-ylacetamide
CID 119389227
N-cyclopropyl-2-(4-fluorophenyl)-2-[4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylacetamide
CID 16588555
(2S)-N-cyclopropyl-2-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 40790129
N-cyclopropyl-2-[[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-phenylacetamide
CID 17468752
(2R)-N-(tert-butylcarbamoyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide
CID 27507138

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide?
The IUPAC name of (2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide (CID 41433682) is (2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide.
What is the SMILES notation for (2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide?
The canonical SMILES for (2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide is O=C(NC1CC1)[C@H](Sc1ncc2ccccn12)c1ccc(F)cc1.
What is the InChIKey of (2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide?
The InChIKey is PAJAVRSRJXGRJP-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H16FN3OS/c19-13-6-4-12(5-7-13)16(17(23)21-14-8-9-14)24-18-20-11-15-3-1-2-10-22(15)18/h1-7,10-11,14,16H,8-9H2,(H,21,23)/t16-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide?
(2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide has a molecular weight of 341.41 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide is sourced from PubChem (CID 41433682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).