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

C29H33FN6OS — CID 90420528

IUPACN-cyclopropyl-2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]acetamide
SMILESCCc1nc2ccc(C3CCN(CC(=O)NC4CC4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C29H33FN6OS/c1-3-24-28(34(2)29-33-25(18-38-29)20-4-7-22(30)8-5-20)36-16-21(6-11-26(36)32-24)19-12-14-35(15-13-19)17-27(37)31-23-9-10-23/h4-8,11,16,18-19,23H,3,9-10,12-15,17H2,1-2H3,(H,31,37)
InChIKeyGSHANZSQZQPMDO-UHFFFAOYSA-N
MW532.69 g/mol
LogP5.39
Rot. Bonds8

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

N-cyclopropyl-2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]acetamide (PubChem CID 90420528) has the molecular formula C29H33FN6OS and a molecular weight of 532.69 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]acetamide
PubChem CID90420528
Molecular FormulaC29H33FN6OS
Molecular Weight532.69 g/mol
Exact Mass532.24
IUPAC NameN-cyclopropyl-2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]acetamide
SMILESCCc1nc2ccc(C3CCN(CC(=O)NC4CC4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C29H33FN6OS/c1-3-24-28(34(2)29-33-25(18-38-29)20-4-7-22(30)8-5-20)36-16-21(6-11-26(36)32-24)19-12-14-35(15-13-19)17-27(37)31-23-9-10-23/h4-8,11,16,18-19,23H,3,9-10,12-15,17H2,1-2H3,(H,31,37)
InChIKeyGSHANZSQZQPMDO-UHFFFAOYSA-N
XLogP5.39
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.69
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]acetamide (CID 90420528) is N-cyclopropyl-2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]acetamide is CCc1nc2ccc(C3CCN(CC(=O)NC4CC4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of N-cyclopropyl-2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]acetamide?
The InChIKey is GSHANZSQZQPMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33FN6OS/c1-3-24-28(34(2)29-33-25(18-38-29)20-4-7-22(30)8-5-20)36-16-21(6-11-26(36)32-24)19-12-14-35(15-13-19)17-27(37)31-23-9-10-23/h4-8,11,16,18-19,23H,3,9-10,12-15,17H2,1-2H3,(H,31,37).
What are the key properties of N-cyclopropyl-2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]acetamide?
N-cyclopropyl-2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]acetamide has a molecular weight of 532.69 g/mol, XLogP of 5.39, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 90420528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).