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

C27H31FN6OS — CID 78426841

IUPAC1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-2-(methylamino)ethanone
SMILESCCc1nc2ccc(C3CCN(C(=O)CNC)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C27H31FN6OS/c1-4-22-26(32(3)27-31-23(17-36-27)19-5-8-21(28)9-6-19)34-16-20(7-10-24(34)30-22)18-11-13-33(14-12-18)25(35)15-29-2/h5-10,16-18,29H,4,11-15H2,1-3H3
InChIKeyDERXITOQLUCUKF-UHFFFAOYSA-N
MW506.65 g/mol
LogP4.85
Rot. Bonds7

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

1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-2-(methylamino)ethanone (PubChem CID 78426841) has the molecular formula C27H31FN6OS and a molecular weight of 506.65 g/mol. Its IUPAC name is 1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-2-(methylamino)ethanone
PubChem CID78426841
Molecular FormulaC27H31FN6OS
Molecular Weight506.65 g/mol
Exact Mass506.23
IUPAC Name1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-2-(methylamino)ethanone
SMILESCCc1nc2ccc(C3CCN(C(=O)CNC)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C27H31FN6OS/c1-4-22-26(32(3)27-31-23(17-36-27)19-5-8-21(28)9-6-19)34-16-20(7-10-24(34)30-22)18-11-13-33(14-12-18)25(35)15-29-2/h5-10,16-18,29H,4,11-15H2,1-3H3
InChIKeyDERXITOQLUCUKF-UHFFFAOYSA-N
XLogP4.85
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.65
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-2-(methylamino)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-2-(methylamino)ethanone?
The IUPAC name of 1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-2-(methylamino)ethanone (CID 78426841) is 1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-2-(methylamino)ethanone is CCc1nc2ccc(C3CCN(C(=O)CNC)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of 1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-2-(methylamino)ethanone?
The InChIKey is DERXITOQLUCUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN6OS/c1-4-22-26(32(3)27-31-23(17-36-27)19-5-8-21(28)9-6-19)34-16-20(7-10-24(34)30-22)18-11-13-33(14-12-18)25(35)15-29-2/h5-10,16-18,29H,4,11-15H2,1-3H3.
What are the key properties of 1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-2-(methylamino)ethanone?
1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-2-(methylamino)ethanone has a molecular weight of 506.65 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-2-(methylamino)ethanone is sourced from PubChem (CID 78426841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).