2-[5-[(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-1,2,4-thiadiazol-3-yl]-5-fluorobenzonitrile

C24H24FN7S — CID 90446727

IUPAC2-[5-[(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-1,2,4-thiadiazol-3-yl]-5-fluorobenzonitrile
SMILESCCc1nc2ccc(C3CCNCC3)cn2c1N(C)c1nc(-c2ccc(F)cc2C#N)ns1
InChIInChI=1S/C24H24FN7S/c1-3-20-23(32-14-16(4-7-21(32)28-20)15-8-10-27-11-9-15)31(2)24-29-22(30-33-24)19-6-5-18(25)12-17(19)13-26/h4-7,12,14-15,27H,3,8-11H2,1-2H3
InChIKeyPLAHFYLXIGVUFL-UHFFFAOYSA-N
MW461.57 g/mol
LogP4.66
Rot. Bonds5

About 2-[5-[(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-1,2,4-thiadiazol-3-yl]-5-fluorobenzonitrile

2-[5-[(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-1,2,4-thiadiazol-3-yl]-5-fluorobenzonitrile (PubChem CID 90446727) has the molecular formula C24H24FN7S and a molecular weight of 461.57 g/mol. Its IUPAC name is 2-[5-[(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-1,2,4-thiadiazol-3-yl]-5-fluorobenzonitrile.

Molecular Properties

Compound Name2-[5-[(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-1,2,4-thiadiazol-3-yl]-5-fluorobenzonitrile
PubChem CID90446727
Molecular FormulaC24H24FN7S
Molecular Weight461.57 g/mol
Exact Mass461.18
IUPAC Name2-[5-[(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-1,2,4-thiadiazol-3-yl]-5-fluorobenzonitrile
SMILESCCc1nc2ccc(C3CCNCC3)cn2c1N(C)c1nc(-c2ccc(F)cc2C#N)ns1
InChIInChI=1S/C24H24FN7S/c1-3-20-23(32-14-16(4-7-21(32)28-20)15-8-10-27-11-9-15)31(2)24-29-22(30-33-24)19-6-5-18(25)12-17(19)13-26/h4-7,12,14-15,27H,3,8-11H2,1-2H3
InChIKeyPLAHFYLXIGVUFL-UHFFFAOYSA-N
XLogP4.66
TPSA82.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-1,2,4-thiadiazol-3-yl]-5-fluorobenzonitrile?
The IUPAC name of 2-[5-[(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-1,2,4-thiadiazol-3-yl]-5-fluorobenzonitrile (CID 90446727) is 2-[5-[(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-1,2,4-thiadiazol-3-yl]-5-fluorobenzonitrile.
What is the SMILES notation for 2-[5-[(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-1,2,4-thiadiazol-3-yl]-5-fluorobenzonitrile?
The canonical SMILES for 2-[5-[(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-1,2,4-thiadiazol-3-yl]-5-fluorobenzonitrile is CCc1nc2ccc(C3CCNCC3)cn2c1N(C)c1nc(-c2ccc(F)cc2C#N)ns1.
What is the InChIKey of 2-[5-[(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-1,2,4-thiadiazol-3-yl]-5-fluorobenzonitrile?
The InChIKey is PLAHFYLXIGVUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN7S/c1-3-20-23(32-14-16(4-7-21(32)28-20)15-8-10-27-11-9-15)31(2)24-29-22(30-33-24)19-6-5-18(25)12-17(19)13-26/h4-7,12,14-15,27H,3,8-11H2,1-2H3.
What are the key properties of 2-[5-[(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-1,2,4-thiadiazol-3-yl]-5-fluorobenzonitrile?
2-[5-[(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-1,2,4-thiadiazol-3-yl]-5-fluorobenzonitrile has a molecular weight of 461.57 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-1,2,4-thiadiazol-3-yl]-5-fluorobenzonitrile is sourced from PubChem (CID 90446727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).