5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone

C16H20N4OS — CID 164641234

IUPAC5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cn2c(n1)CCCC2)N1CC[C@H](Cc2nccs2)C1
InChIInChI=1S/C16H20N4OS/c21-16(13-11-19-6-2-1-3-14(19)18-13)20-7-4-12(10-20)9-15-17-5-8-22-15/h5,8,11-12H,1-4,6-7,9-10H2/t12-/m1/s1
InChIKeyMMICKNVJZQFFEY-GFCCVEGCSA-N
MW316.43 g/mol
LogP2.38
Rot. Bonds3

About 5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone

5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 164641234) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID164641234
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cn2c(n1)CCCC2)N1CC[C@H](Cc2nccs2)C1
InChIInChI=1S/C16H20N4OS/c21-16(13-11-19-6-2-1-3-14(19)18-13)20-7-4-12(10-20)9-15-17-5-8-22-15/h5,8,11-12H,1-4,6-7,9-10H2/t12-/m1/s1
InChIKeyMMICKNVJZQFFEY-GFCCVEGCSA-N
XLogP2.38
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of 5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone (CID 164641234) is 5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for 5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for 5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone is O=C(c1cn2c(n1)CCCC2)N1CC[C@H](Cc2nccs2)C1.
What is the InChIKey of 5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is MMICKNVJZQFFEY-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20N4OS/c21-16(13-11-19-6-2-1-3-14(19)18-13)20-7-4-12(10-20)9-15-17-5-8-22-15/h5,8,11-12H,1-4,6-7,9-10H2/t12-/m1/s1.
What are the key properties of 5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone?
5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 316.43 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 164641234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).