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

C25H26FN7S — CID 78427128

IUPAC2-[2-[(2-ethyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-5-methyl-1,3-thiazol-4-yl]-5-fluorobenzonitrile
SMILESCCc1nc2ccc(N3CCNCC3)cn2c1N(C)c1nc(-c2ccc(F)cc2C#N)c(C)s1
InChIInChI=1S/C25H26FN7S/c1-4-21-24(33-15-19(6-8-22(33)29-21)32-11-9-28-10-12-32)31(3)25-30-23(16(2)34-25)20-7-5-18(26)13-17(20)14-27/h5-8,13,15,28H,4,9-12H2,1-3H3
InChIKeyVVRCMCTVUXYZQU-UHFFFAOYSA-N
MW475.60 g/mol
LogP4.52
Rot. Bonds5

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

2-[2-[(2-ethyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-5-methyl-1,3-thiazol-4-yl]-5-fluorobenzonitrile (PubChem CID 78427128) has the molecular formula C25H26FN7S and a molecular weight of 475.60 g/mol. Its IUPAC name is 2-[2-[(2-ethyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-5-methyl-1,3-thiazol-4-yl]-5-fluorobenzonitrile.

Molecular Properties

Compound Name2-[2-[(2-ethyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-5-methyl-1,3-thiazol-4-yl]-5-fluorobenzonitrile
PubChem CID78427128
Molecular FormulaC25H26FN7S
Molecular Weight475.60 g/mol
Exact Mass475.20
IUPAC Name2-[2-[(2-ethyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-5-methyl-1,3-thiazol-4-yl]-5-fluorobenzonitrile
SMILESCCc1nc2ccc(N3CCNCC3)cn2c1N(C)c1nc(-c2ccc(F)cc2C#N)c(C)s1
InChIInChI=1S/C25H26FN7S/c1-4-21-24(33-15-19(6-8-22(33)29-21)32-11-9-28-10-12-32)31(3)25-30-23(16(2)34-25)20-7-5-18(26)13-17(20)14-27/h5-8,13,15,28H,4,9-12H2,1-3H3
InChIKeyVVRCMCTVUXYZQU-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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Related Compounds

Imidazopyridine 10e
CID 5329344
Imidazopyridine 10f
CID 5329345
Ikk-IN-3
CID 10215156
12-Methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823959
N,12-dimethyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823960
12-methyl-4-phenyl-N-[2-(piperidin-1-yl)ethyl]-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823975
Dimethyl[2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethyl]amine
CID 20823982
N-[2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethyl]acetamide
CID 20823986
2-({12-Methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethan-1-ol
CID 20823993
2-({12-Methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)acetamide
CID 20823995
N-ethyl-12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20824060
N-ethyl-4-(4-fluorophenyl)-12-methyl-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
CID 21083906

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-ethyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-5-methyl-1,3-thiazol-4-yl]-5-fluorobenzonitrile?
The IUPAC name of 2-[2-[(2-ethyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-5-methyl-1,3-thiazol-4-yl]-5-fluorobenzonitrile (CID 78427128) is 2-[2-[(2-ethyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-5-methyl-1,3-thiazol-4-yl]-5-fluorobenzonitrile.
What is the SMILES notation for 2-[2-[(2-ethyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-5-methyl-1,3-thiazol-4-yl]-5-fluorobenzonitrile?
The canonical SMILES for 2-[2-[(2-ethyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-5-methyl-1,3-thiazol-4-yl]-5-fluorobenzonitrile is CCc1nc2ccc(N3CCNCC3)cn2c1N(C)c1nc(-c2ccc(F)cc2C#N)c(C)s1.
What is the InChIKey of 2-[2-[(2-ethyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-5-methyl-1,3-thiazol-4-yl]-5-fluorobenzonitrile?
The InChIKey is VVRCMCTVUXYZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN7S/c1-4-21-24(33-15-19(6-8-22(33)29-21)32-11-9-28-10-12-32)31(3)25-30-23(16(2)34-25)20-7-5-18(26)13-17(20)14-27/h5-8,13,15,28H,4,9-12H2,1-3H3.
What are the key properties of 2-[2-[(2-ethyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-5-methyl-1,3-thiazol-4-yl]-5-fluorobenzonitrile?
2-[2-[(2-ethyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-5-methyl-1,3-thiazol-4-yl]-5-fluorobenzonitrile 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-[(2-ethyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-5-methyl-1,3-thiazol-4-yl]-5-fluorobenzonitrile is sourced from PubChem (CID 78427128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).