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

C29H35FN6OS — CID 90446646

IUPAC3-(dimethylamino)-1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]propan-1-one
SMILESCCc1nc2ccc(C3CCN(C(=O)CCN(C)C)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C29H35FN6OS/c1-5-24-28(34(4)29-32-25(19-38-29)21-6-9-23(30)10-7-21)36-18-22(8-11-26(36)31-24)20-12-16-35(17-13-20)27(37)14-15-33(2)3/h6-11,18-20H,5,12-17H2,1-4H3
InChIKeyHEQTYIHFHKKUSO-UHFFFAOYSA-N
MW534.71 g/mol
LogP5.58
Rot. Bonds8

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

3-(dimethylamino)-1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]propan-1-one (PubChem CID 90446646) has the molecular formula C29H35FN6OS and a molecular weight of 534.71 g/mol. Its IUPAC name is 3-(dimethylamino)-1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]propan-1-one
PubChem CID90446646
Molecular FormulaC29H35FN6OS
Molecular Weight534.71 g/mol
Exact Mass534.26
IUPAC Name3-(dimethylamino)-1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]propan-1-one
SMILESCCc1nc2ccc(C3CCN(C(=O)CCN(C)C)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C29H35FN6OS/c1-5-24-28(34(4)29-32-25(19-38-29)21-6-9-23(30)10-7-21)36-18-22(8-11-26(36)31-24)20-12-16-35(17-13-20)27(37)14-15-33(2)3/h6-11,18-20H,5,12-17H2,1-4H3
InChIKeyHEQTYIHFHKKUSO-UHFFFAOYSA-N
XLogP5.58
TPSA56.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.71
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(dimethylamino)-1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]propan-1-one (CID 90446646) is 3-(dimethylamino)-1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(dimethylamino)-1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(dimethylamino)-1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]propan-1-one is CCc1nc2ccc(C3CCN(C(=O)CCN(C)C)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of 3-(dimethylamino)-1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]propan-1-one?
The InChIKey is HEQTYIHFHKKUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35FN6OS/c1-5-24-28(34(4)29-32-25(19-38-29)21-6-9-23(30)10-7-21)36-18-22(8-11-26(36)31-24)20-12-16-35(17-13-20)27(37)14-15-33(2)3/h6-11,18-20H,5,12-17H2,1-4H3.
What are the key properties of 3-(dimethylamino)-1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]propan-1-one?
3-(dimethylamino)-1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]propan-1-one has a molecular weight of 534.71 g/mol, XLogP of 5.58, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 90446646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).