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

C25H25FN6S — CID 90446716

IUPAC2-[2-[(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-1,3-thiazol-4-yl]-5-fluorobenzonitrile
SMILESCCc1nc2ccc(C3CCNCC3)cn2c1N(C)c1nc(-c2ccc(F)cc2C#N)cs1
InChIInChI=1S/C25H25FN6S/c1-3-21-24(32-14-17(4-7-23(32)29-21)16-8-10-28-11-9-16)31(2)25-30-22(15-33-25)20-6-5-19(26)12-18(20)13-27/h4-7,12,14-16,28H,3,8-11H2,1-2H3
InChIKeyRFNSWYZXQCNZES-UHFFFAOYSA-N
MW460.58 g/mol
LogP5.27
Rot. Bonds5

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

2-[2-[(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-1,3-thiazol-4-yl]-5-fluorobenzonitrile (PubChem CID 90446716) has the molecular formula C25H25FN6S and a molecular weight of 460.58 g/mol. Its IUPAC name is 2-[2-[(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-1,3-thiazol-4-yl]-5-fluorobenzonitrile.

Molecular Properties

Compound Name2-[2-[(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-1,3-thiazol-4-yl]-5-fluorobenzonitrile
PubChem CID90446716
Molecular FormulaC25H25FN6S
Molecular Weight460.58 g/mol
Exact Mass460.18
IUPAC Name2-[2-[(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-1,3-thiazol-4-yl]-5-fluorobenzonitrile
SMILESCCc1nc2ccc(C3CCNCC3)cn2c1N(C)c1nc(-c2ccc(F)cc2C#N)cs1
InChIInChI=1S/C25H25FN6S/c1-3-21-24(32-14-17(4-7-23(32)29-21)16-8-10-28-11-9-16)31(2)25-30-22(15-33-25)20-6-5-19(26)12-18(20)13-27/h4-7,12,14-16,28H,3,8-11H2,1-2H3
InChIKeyRFNSWYZXQCNZES-UHFFFAOYSA-N
XLogP5.27
TPSA69.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.58
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-1,3-thiazol-4-yl]-5-fluorobenzonitrile?
The IUPAC name of 2-[2-[(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-1,3-thiazol-4-yl]-5-fluorobenzonitrile (CID 90446716) is 2-[2-[(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-1,3-thiazol-4-yl]-5-fluorobenzonitrile.
What is the SMILES notation for 2-[2-[(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-1,3-thiazol-4-yl]-5-fluorobenzonitrile?
The canonical SMILES for 2-[2-[(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-1,3-thiazol-4-yl]-5-fluorobenzonitrile is CCc1nc2ccc(C3CCNCC3)cn2c1N(C)c1nc(-c2ccc(F)cc2C#N)cs1.
What is the InChIKey of 2-[2-[(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-1,3-thiazol-4-yl]-5-fluorobenzonitrile?
The InChIKey is RFNSWYZXQCNZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6S/c1-3-21-24(32-14-17(4-7-23(32)29-21)16-8-10-28-11-9-16)31(2)25-30-22(15-33-25)20-6-5-19(26)12-18(20)13-27/h4-7,12,14-16,28H,3,8-11H2,1-2H3.
What are the key properties of 2-[2-[(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-1,3-thiazol-4-yl]-5-fluorobenzonitrile?
2-[2-[(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-1,3-thiazol-4-yl]-5-fluorobenzonitrile has a molecular weight of 460.58 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-1,3-thiazol-4-yl]-5-fluorobenzonitrile is sourced from PubChem (CID 90446716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).