1-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-methylimidazo[1,2-a]pyridin-6-yl]piperidin-4-ol

C23H24FN5OS — CID 162396171

IUPAC1-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-methylimidazo[1,2-a]pyridin-6-yl]piperidin-4-ol
SMILESCc1nc2ccc(N3CCC(O)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C23H24FN5OS/c1-15-22(27(2)23-26-20(14-31-23)16-3-5-17(24)6-4-16)29-13-18(7-8-21(29)25-15)28-11-9-19(30)10-12-28/h3-8,13-14,19,30H,9-12H2,1-2H3
InChIKeyFGNJMDXEYTUFJN-UHFFFAOYSA-N
MW437.54 g/mol
LogP4.63
Rot. Bonds4

About 1-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-methylimidazo[1,2-a]pyridin-6-yl]piperidin-4-ol

1-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-methylimidazo[1,2-a]pyridin-6-yl]piperidin-4-ol (PubChem CID 162396171) has the molecular formula C23H24FN5OS and a molecular weight of 437.54 g/mol. Its IUPAC name is 1-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-methylimidazo[1,2-a]pyridin-6-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-methylimidazo[1,2-a]pyridin-6-yl]piperidin-4-ol
PubChem CID162396171
Molecular FormulaC23H24FN5OS
Molecular Weight437.54 g/mol
Exact Mass437.17
IUPAC Name1-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-methylimidazo[1,2-a]pyridin-6-yl]piperidin-4-ol
SMILESCc1nc2ccc(N3CCC(O)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C23H24FN5OS/c1-15-22(27(2)23-26-20(14-31-23)16-3-5-17(24)6-4-16)29-13-18(7-8-21(29)25-15)28-11-9-19(30)10-12-28/h3-8,13-14,19,30H,9-12H2,1-2H3
InChIKeyFGNJMDXEYTUFJN-UHFFFAOYSA-N
XLogP4.63
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-methylimidazo[1,2-a]pyridin-6-yl]piperidin-4-ol?
The IUPAC name of 1-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-methylimidazo[1,2-a]pyridin-6-yl]piperidin-4-ol (CID 162396171) is 1-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-methylimidazo[1,2-a]pyridin-6-yl]piperidin-4-ol.
What is the SMILES notation for 1-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-methylimidazo[1,2-a]pyridin-6-yl]piperidin-4-ol?
The canonical SMILES for 1-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-methylimidazo[1,2-a]pyridin-6-yl]piperidin-4-ol is Cc1nc2ccc(N3CCC(O)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of 1-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-methylimidazo[1,2-a]pyridin-6-yl]piperidin-4-ol?
The InChIKey is FGNJMDXEYTUFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5OS/c1-15-22(27(2)23-26-20(14-31-23)16-3-5-17(24)6-4-16)29-13-18(7-8-21(29)25-15)28-11-9-19(30)10-12-28/h3-8,13-14,19,30H,9-12H2,1-2H3.
What are the key properties of 1-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-methylimidazo[1,2-a]pyridin-6-yl]piperidin-4-ol?
1-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-methylimidazo[1,2-a]pyridin-6-yl]piperidin-4-ol has a molecular weight of 437.54 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-methylimidazo[1,2-a]pyridin-6-yl]piperidin-4-ol is sourced from PubChem (CID 162396171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).