2-[(2-ethyl-8-methyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

C25H26FN7S — CID 78427514

IUPAC2-[(2-ethyl-8-methyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESCCc1nc2c(C)cc(N3CCNCC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C25H26FN7S/c1-4-20-24(33-15-19(13-16(2)23(33)29-20)32-11-9-28-10-12-32)31(3)25-30-22(21(14-27)34-25)17-5-7-18(26)8-6-17/h5-8,13,15,28H,4,9-12H2,1-3H3
InChIKeyUTYLRZXQSIMWJU-UHFFFAOYSA-N
MW475.60 g/mol
LogP4.52
Rot. Bonds5

About 2-[(2-ethyl-8-methyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

2-[(2-ethyl-8-methyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 78427514) has the molecular formula C25H26FN7S and a molecular weight of 475.60 g/mol. Its IUPAC name is 2-[(2-ethyl-8-methyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-[(2-ethyl-8-methyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
PubChem CID78427514
Molecular FormulaC25H26FN7S
Molecular Weight475.60 g/mol
Exact Mass475.20
IUPAC Name2-[(2-ethyl-8-methyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESCCc1nc2c(C)cc(N3CCNCC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C25H26FN7S/c1-4-20-24(33-15-19(13-16(2)23(33)29-20)32-11-9-28-10-12-32)31(3)25-30-22(21(14-27)34-25)17-5-7-18(26)8-6-17/h5-8,13,15,28H,4,9-12H2,1-3H3
InChIKeyUTYLRZXQSIMWJU-UHFFFAOYSA-N
XLogP4.52
TPSA72.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.60
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-8-methyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-[(2-ethyl-8-methyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (CID 78427514) is 2-[(2-ethyl-8-methyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-[(2-ethyl-8-methyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-[(2-ethyl-8-methyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is CCc1nc2c(C)cc(N3CCNCC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.
What is the InChIKey of 2-[(2-ethyl-8-methyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The InChIKey is UTYLRZXQSIMWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN7S/c1-4-20-24(33-15-19(13-16(2)23(33)29-20)32-11-9-28-10-12-32)31(3)25-30-22(21(14-27)34-25)17-5-7-18(26)8-6-17/h5-8,13,15,28H,4,9-12H2,1-3H3.
What are the key properties of 2-[(2-ethyl-8-methyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
2-[(2-ethyl-8-methyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 475.60 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-8-methyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 78427514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).