2-[(5-bromo-2-ethyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

C21H17BrFN5S — CID 146267676

IUPAC2-[(5-bromo-2-ethyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESCCc1nn2cc(C)c(Br)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C21H17BrFN5S/c1-4-16-20(17-9-15(22)12(2)11-28(17)26-16)27(3)21-25-19(18(10-24)29-21)13-5-7-14(23)8-6-13/h5-9,11H,4H2,1-3H3
InChIKeyCTYPHLFWCJCUAQ-UHFFFAOYSA-N
MW470.37 g/mol
LogP5.87
Rot. Bonds4

About 2-[(5-bromo-2-ethyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

2-[(5-bromo-2-ethyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 146267676) has the molecular formula C21H17BrFN5S and a molecular weight of 470.37 g/mol. Its IUPAC name is 2-[(5-bromo-2-ethyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-[(5-bromo-2-ethyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
PubChem CID146267676
Molecular FormulaC21H17BrFN5S
Molecular Weight470.37 g/mol
Exact Mass469.04
IUPAC Name2-[(5-bromo-2-ethyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESCCc1nn2cc(C)c(Br)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C21H17BrFN5S/c1-4-16-20(17-9-15(22)12(2)11-28(17)26-16)27(3)21-25-19(18(10-24)29-21)13-5-7-14(23)8-6-13/h5-9,11H,4H2,1-3H3
InChIKeyCTYPHLFWCJCUAQ-UHFFFAOYSA-N
XLogP5.87
TPSA57.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.37
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(5-bromo-2-ethyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-ethyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-[(5-bromo-2-ethyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (CID 146267676) is 2-[(5-bromo-2-ethyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-[(5-bromo-2-ethyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-[(5-bromo-2-ethyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is CCc1nn2cc(C)c(Br)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.
What is the InChIKey of 2-[(5-bromo-2-ethyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The InChIKey is CTYPHLFWCJCUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrFN5S/c1-4-16-20(17-9-15(22)12(2)11-28(17)26-16)27(3)21-25-19(18(10-24)29-21)13-5-7-14(23)8-6-13/h5-9,11H,4H2,1-3H3.
What are the key properties of 2-[(5-bromo-2-ethyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
2-[(5-bromo-2-ethyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 470.37 g/mol, XLogP of 5.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-ethyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 146267676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).