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

C28H33FN6OS — CID 78426844

IUPAC1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-3-(methylamino)propan-1-one
SMILESCCc1nc2ccc(C3CCN(C(=O)CCNC)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C28H33FN6OS/c1-4-23-27(33(3)28-32-24(18-37-28)20-5-8-22(29)9-6-20)35-17-21(7-10-25(35)31-23)19-12-15-34(16-13-19)26(36)11-14-30-2/h5-10,17-19,30H,4,11-16H2,1-3H3
InChIKeyRHXMUBRTNRIDQP-UHFFFAOYSA-N
MW520.68 g/mol
LogP5.24
Rot. Bonds8

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]-3-(methylamino)propan-1-one

1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-3-(methylamino)propan-1-one (PubChem CID 78426844) has the molecular formula C28H33FN6OS and a molecular weight of 520.68 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]-3-(methylamino)propan-1-one.

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]-3-(methylamino)propan-1-one
PubChem CID78426844
Molecular FormulaC28H33FN6OS
Molecular Weight520.68 g/mol
Exact Mass520.24
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]-3-(methylamino)propan-1-one
SMILESCCc1nc2ccc(C3CCN(C(=O)CCNC)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C28H33FN6OS/c1-4-23-27(33(3)28-32-24(18-37-28)20-5-8-22(29)9-6-20)35-17-21(7-10-25(35)31-23)19-12-15-34(16-13-19)26(36)11-14-30-2/h5-10,17-19,30H,4,11-16H2,1-3H3
InChIKeyRHXMUBRTNRIDQP-UHFFFAOYSA-N
XLogP5.24
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.68
LogP ≤ 55.24
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]-3-(methylamino)propan-1-one 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]-3-(methylamino)propan-1-one?
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]-3-(methylamino)propan-1-one (CID 78426844) 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]-3-(methylamino)propan-1-one.
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]-3-(methylamino)propan-1-one?
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]-3-(methylamino)propan-1-one is CCc1nc2ccc(C3CCN(C(=O)CCNC)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]-3-(methylamino)propan-1-one?
The InChIKey is RHXMUBRTNRIDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33FN6OS/c1-4-23-27(33(3)28-32-24(18-37-28)20-5-8-22(29)9-6-20)35-17-21(7-10-25(35)31-23)19-12-15-34(16-13-19)26(36)11-14-30-2/h5-10,17-19,30H,4,11-16H2,1-3H3.
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]-3-(methylamino)propan-1-one?
1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-3-(methylamino)propan-1-one has a molecular weight of 520.68 g/mol, XLogP of 5.24, 8 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]-3-(methylamino)propan-1-one is sourced from PubChem (CID 78426844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).