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

C24H22F2N4OS — CID 25164337

IUPAC[(2S)-2-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
SMILESCc1nc(C(=O)N2CCCC[C@H]2Cc2cn3cc(F)ccc3n2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C24H22F2N4OS/c1-15-27-22(23(32-15)16-5-7-17(25)8-6-16)24(31)30-11-3-2-4-20(30)12-19-14-29-13-18(26)9-10-21(29)28-19/h5-10,13-14,20H,2-4,11-12H2,1H3/t20-/m0/s1
InChIKeyCUSHZPRTXBLSIP-FQEVSTJZSA-N
MW452.53 g/mol
LogP5.28
Rot. Bonds4

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

[(2S)-2-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone (PubChem CID 25164337) has the molecular formula C24H22F2N4OS and a molecular weight of 452.53 g/mol. Its IUPAC name is [(2S)-2-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
PubChem CID25164337
Molecular FormulaC24H22F2N4OS
Molecular Weight452.53 g/mol
Exact Mass452.15
IUPAC Name[(2S)-2-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
SMILESCc1nc(C(=O)N2CCCC[C@H]2Cc2cn3cc(F)ccc3n2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C24H22F2N4OS/c1-15-27-22(23(32-15)16-5-7-17(25)8-6-16)24(31)30-11-3-2-4-20(30)12-19-14-29-13-18(26)9-10-21(29)28-19/h5-10,13-14,20H,2-4,11-12H2,1H3/t20-/m0/s1
InChIKeyCUSHZPRTXBLSIP-FQEVSTJZSA-N
XLogP5.28
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.53
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone?
The IUPAC name of [(2S)-2-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone (CID 25164337) is [(2S)-2-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [(2S)-2-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [(2S)-2-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone is Cc1nc(C(=O)N2CCCC[C@H]2Cc2cn3cc(F)ccc3n2)c(-c2ccc(F)cc2)s1.
What is the InChIKey of [(2S)-2-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone?
The InChIKey is CUSHZPRTXBLSIP-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H22F2N4OS/c1-15-27-22(23(32-15)16-5-7-17(25)8-6-16)24(31)30-11-3-2-4-20(30)12-19-14-29-13-18(26)9-10-21(29)28-19/h5-10,13-14,20H,2-4,11-12H2,1H3/t20-/m0/s1.
What are the key properties of [(2S)-2-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone?
[(2S)-2-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone has a molecular weight of 452.53 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 25164337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).