cyclopropyl-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]methanone

C27H29FN6OS — CID 90420037

IUPACcyclopropyl-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]methanone
SMILESCCc1nc2ccc(N3CCN(C(=O)C4CC4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C27H29FN6OS/c1-3-22-25(31(2)27-30-23(17-36-27)18-6-8-20(28)9-7-18)34-16-21(10-11-24(34)29-22)32-12-14-33(15-13-32)26(35)19-4-5-19/h6-11,16-17,19H,3-5,12-15H2,1-2H3
InChIKeyXUYSSUBYLZSUGJ-UHFFFAOYSA-N
MW504.64 g/mol
LogP4.99
Rot. Bonds6

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

cyclopropyl-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]methanone (PubChem CID 90420037) has the molecular formula C27H29FN6OS and a molecular weight of 504.64 g/mol. Its IUPAC name is cyclopropyl-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]methanone
PubChem CID90420037
Molecular FormulaC27H29FN6OS
Molecular Weight504.64 g/mol
Exact Mass504.21
IUPAC Namecyclopropyl-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]methanone
SMILESCCc1nc2ccc(N3CCN(C(=O)C4CC4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C27H29FN6OS/c1-3-22-25(31(2)27-30-23(17-36-27)18-6-8-20(28)9-7-18)34-16-21(10-11-24(34)29-22)32-12-14-33(15-13-32)26(35)19-4-5-19/h6-11,16-17,19H,3-5,12-15H2,1-2H3
InChIKeyXUYSSUBYLZSUGJ-UHFFFAOYSA-N
XLogP4.99
TPSA56.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.64
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]methanone (CID 90420037) is cyclopropyl-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]methanone is CCc1nc2ccc(N3CCN(C(=O)C4CC4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of cyclopropyl-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]methanone?
The InChIKey is XUYSSUBYLZSUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN6OS/c1-3-22-25(31(2)27-30-23(17-36-27)18-6-8-20(28)9-7-18)34-16-21(10-11-24(34)29-22)32-12-14-33(15-13-32)26(35)19-4-5-19/h6-11,16-17,19H,3-5,12-15H2,1-2H3.
What are the key properties of cyclopropyl-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]methanone?
cyclopropyl-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]methanone has a molecular weight of 504.64 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 90420037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).