[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[(2S)-2-[(7-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]methanone

C25H25FN4O2S — CID 25164339

IUPAC[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[(2S)-2-[(7-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]methanone
SMILESCOc1ccn2cc(C[C@@H]3CCCCN3C(=O)c3nc(C)sc3-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C25H25FN4O2S/c1-16-27-23(24(33-16)17-6-8-18(26)9-7-17)25(31)30-11-4-3-5-20(30)13-19-15-29-12-10-21(32-2)14-22(29)28-19/h6-10,12,14-15,20H,3-5,11,13H2,1-2H3/t20-/m0/s1
InChIKeyUBAZDNXKOGGYIJ-FQEVSTJZSA-N
MW464.57 g/mol
LogP5.15
Rot. Bonds5

About [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[(2S)-2-[(7-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]methanone

[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[(2S)-2-[(7-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]methanone (PubChem CID 25164339) has the molecular formula C25H25FN4O2S and a molecular weight of 464.57 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[(2S)-2-[(7-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[(2S)-2-[(7-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]methanone
PubChem CID25164339
Molecular FormulaC25H25FN4O2S
Molecular Weight464.57 g/mol
Exact Mass464.17
IUPAC Name[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[(2S)-2-[(7-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]methanone
SMILESCOc1ccn2cc(C[C@@H]3CCCCN3C(=O)c3nc(C)sc3-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C25H25FN4O2S/c1-16-27-23(24(33-16)17-6-8-18(26)9-7-17)25(31)30-11-4-3-5-20(30)13-19-15-29-12-10-21(32-2)14-22(29)28-19/h6-10,12,14-15,20H,3-5,11,13H2,1-2H3/t20-/m0/s1
InChIKeyUBAZDNXKOGGYIJ-FQEVSTJZSA-N
XLogP5.15
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.57
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[(2S)-2-[(7-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[(2S)-2-[(7-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[(2S)-2-[(7-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]methanone (CID 25164339) is [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[(2S)-2-[(7-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[(2S)-2-[(7-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[(2S)-2-[(7-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]methanone is COc1ccn2cc(C[C@@H]3CCCCN3C(=O)c3nc(C)sc3-c3ccc(F)cc3)nc2c1.
What is the InChIKey of [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[(2S)-2-[(7-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is UBAZDNXKOGGYIJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H25FN4O2S/c1-16-27-23(24(33-16)17-6-8-18(26)9-7-17)25(31)30-11-4-3-5-20(30)13-19-15-29-12-10-21(32-2)14-22(29)28-19/h6-10,12,14-15,20H,3-5,11,13H2,1-2H3/t20-/m0/s1.
What are the key properties of [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[(2S)-2-[(7-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]methanone?
[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[(2S)-2-[(7-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 464.57 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[(2S)-2-[(7-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 25164339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).