[(2S)-2-[(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone

C25H25FN4OS — CID 25164541

IUPAC[(2S)-2-[(3-fluoro-8-methylimidazo[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]2Cc2nc3c(C)cccn3c2F)c(-c2ccccc2)s1
InChIInChI=1S/C25H25FN4OS/c1-16-9-8-14-30-23(26)20(28-24(16)30)15-19-12-6-7-13-29(19)25(31)21-22(32-17(2)27-21)18-10-4-3-5-11-18/h3-5,8-11,14,19H,6-7,12-13,15H2,1-2H3/t19-/m0/s1
InChIKeyHFNXQWBTWXOFEP-IBGZPJMESA-N
MW448.57 g/mol
LogP5.45
Rot. Bonds4

About [(2S)-2-[(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone

[(2S)-2-[(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone (PubChem CID 25164541) has the molecular formula C25H25FN4OS and a molecular weight of 448.57 g/mol. Its IUPAC name is [(2S)-2-[(3-fluoro-8-methylimidazo[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-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
PubChem CID25164541
Molecular FormulaC25H25FN4OS
Molecular Weight448.57 g/mol
Exact Mass448.17
IUPAC Name[(2S)-2-[(3-fluoro-8-methylimidazo[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]2Cc2nc3c(C)cccn3c2F)c(-c2ccccc2)s1
InChIInChI=1S/C25H25FN4OS/c1-16-9-8-14-30-23(26)20(28-24(16)30)15-19-12-6-7-13-29(19)25(31)21-22(32-17(2)27-21)18-10-4-3-5-11-18/h3-5,8-11,14,19H,6-7,12-13,15H2,1-2H3/t19-/m0/s1
InChIKeyHFNXQWBTWXOFEP-IBGZPJMESA-N
XLogP5.45
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.57
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(3-fluoro-8-methylimidazo[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-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone (CID 25164541) is [(2S)-2-[(3-fluoro-8-methylimidazo[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-fluoro-8-methylimidazo[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-fluoro-8-methylimidazo[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]2Cc2nc3c(C)cccn3c2F)c(-c2ccccc2)s1.
What is the InChIKey of [(2S)-2-[(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone?
The InChIKey is HFNXQWBTWXOFEP-IBGZPJMESA-N. The full InChI is InChI=1S/C25H25FN4OS/c1-16-9-8-14-30-23(26)20(28-24(16)30)15-19-12-6-7-13-29(19)25(31)21-22(32-17(2)27-21)18-10-4-3-5-11-18/h3-5,8-11,14,19H,6-7,12-13,15H2,1-2H3/t19-/m0/s1.
What are the key properties of [(2S)-2-[(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone?
[(2S)-2-[(3-fluoro-8-methylimidazo[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 448.57 g/mol, XLogP of 5.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(3-fluoro-8-methylimidazo[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 25164541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).