[(2S)-2-[(3-chloro-6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone

C24H22ClFN4OS — CID 25164737

IUPAC[(2S)-2-[(3-chloro-6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCCC[C@H]2Cc2nc3ccc(F)cn3c2Cl)c(-c2ccccc2)s1
InChIInChI=1S/C24H22ClFN4OS/c1-15-27-21(22(32-15)16-7-3-2-4-8-16)24(31)29-12-6-5-9-18(29)13-19-23(25)30-14-17(26)10-11-20(30)28-19/h2-4,7-8,10-11,14,18H,5-6,9,12-13H2,1H3/t18-/m0/s1
InChIKeyQPYQZTJKFDEWHG-SFHVURJKSA-N
MW468.99 g/mol
LogP5.80
Rot. Bonds4

About [(2S)-2-[(3-chloro-6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone

[(2S)-2-[(3-chloro-6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone (PubChem CID 25164737) has the molecular formula C24H22ClFN4OS and a molecular weight of 468.99 g/mol. Its IUPAC name is [(2S)-2-[(3-chloro-6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-[(3-chloro-6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
PubChem CID25164737
Molecular FormulaC24H22ClFN4OS
Molecular Weight468.99 g/mol
Exact Mass468.12
IUPAC Name[(2S)-2-[(3-chloro-6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCCC[C@H]2Cc2nc3ccc(F)cn3c2Cl)c(-c2ccccc2)s1
InChIInChI=1S/C24H22ClFN4OS/c1-15-27-21(22(32-15)16-7-3-2-4-8-16)24(31)29-12-6-5-9-18(29)13-19-23(25)30-14-17(26)10-11-20(30)28-19/h2-4,7-8,10-11,14,18H,5-6,9,12-13H2,1H3/t18-/m0/s1
InChIKeyQPYQZTJKFDEWHG-SFHVURJKSA-N
XLogP5.80
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.99
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(3-chloro-6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [(2S)-2-[(3-chloro-6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone (CID 25164737) is [(2S)-2-[(3-chloro-6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(2S)-2-[(3-chloro-6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(2S)-2-[(3-chloro-6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone is Cc1nc(C(=O)N2CCCC[C@H]2Cc2nc3ccc(F)cn3c2Cl)c(-c2ccccc2)s1.
What is the InChIKey of [(2S)-2-[(3-chloro-6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone?
The InChIKey is QPYQZTJKFDEWHG-SFHVURJKSA-N. The full InChI is InChI=1S/C24H22ClFN4OS/c1-15-27-21(22(32-15)16-7-3-2-4-8-16)24(31)29-12-6-5-9-18(29)13-19-23(25)30-14-17(26)10-11-20(30)28-19/h2-4,7-8,10-11,14,18H,5-6,9,12-13H2,1H3/t18-/m0/s1.
What are the key properties of [(2S)-2-[(3-chloro-6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone?
[(2S)-2-[(3-chloro-6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone has a molecular weight of 468.99 g/mol, XLogP of 5.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(3-chloro-6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 25164737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).