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

C27H32FN5O3S2 — CID 78426703

IUPAC3-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]sulfonylpropan-1-ol
SMILESCCc1nc2ccc(C3CCN(S(=O)(=O)CCCO)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C27H32FN5O3S2/c1-3-23-26(31(2)27-30-24(18-37-27)20-5-8-22(28)9-6-20)33-17-21(7-10-25(33)29-23)19-11-13-32(14-12-19)38(35,36)16-4-15-34/h5-10,17-19,34H,3-4,11-16H2,1-2H3
InChIKeyYLZUANWDTMUZRQ-UHFFFAOYSA-N
MW557.72 g/mol
LogP4.82
Rot. Bonds9

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

3-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]sulfonylpropan-1-ol (PubChem CID 78426703) has the molecular formula C27H32FN5O3S2 and a molecular weight of 557.72 g/mol. Its IUPAC name is 3-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]sulfonylpropan-1-ol.

Molecular Properties

Compound Name3-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]sulfonylpropan-1-ol
PubChem CID78426703
Molecular FormulaC27H32FN5O3S2
Molecular Weight557.72 g/mol
Exact Mass557.19
IUPAC Name3-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]sulfonylpropan-1-ol
SMILESCCc1nc2ccc(C3CCN(S(=O)(=O)CCCO)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C27H32FN5O3S2/c1-3-23-26(31(2)27-30-24(18-37-27)20-5-8-22(28)9-6-20)33-17-21(7-10-25(33)29-23)19-11-13-32(14-12-19)38(35,36)16-4-15-34/h5-10,17-19,34H,3-4,11-16H2,1-2H3
InChIKeyYLZUANWDTMUZRQ-UHFFFAOYSA-N
XLogP4.82
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.72
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]sulfonylpropan-1-ol?
The IUPAC name of 3-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]sulfonylpropan-1-ol (CID 78426703) is 3-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]sulfonylpropan-1-ol.
What is the SMILES notation for 3-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]sulfonylpropan-1-ol?
The canonical SMILES for 3-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]sulfonylpropan-1-ol is CCc1nc2ccc(C3CCN(S(=O)(=O)CCCO)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of 3-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]sulfonylpropan-1-ol?
The InChIKey is YLZUANWDTMUZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN5O3S2/c1-3-23-26(31(2)27-30-24(18-37-27)20-5-8-22(28)9-6-20)33-17-21(7-10-25(33)29-23)19-11-13-32(14-12-19)38(35,36)16-4-15-34/h5-10,17-19,34H,3-4,11-16H2,1-2H3.
What are the key properties of 3-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]sulfonylpropan-1-ol?
3-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]sulfonylpropan-1-ol has a molecular weight of 557.72 g/mol, XLogP of 4.82, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]sulfonylpropan-1-ol is sourced from PubChem (CID 78426703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).