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

C20H15BrFN5S — CID 146267764

IUPAC2-[(5-bromo-2-ethyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESCCc1nn2cc(C)c(Br)cc2c1Nc1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C20H15BrFN5S/c1-3-15-19(16-8-14(21)11(2)10-27(16)26-15)25-20-24-18(17(9-23)28-20)12-4-6-13(22)7-5-12/h4-8,10H,3H2,1-2H3,(H,24,25)
InChIKeyTWXHQHVNBOGEAY-UHFFFAOYSA-N
MW456.34 g/mol
LogP5.85
Rot. Bonds4

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

2-[(5-bromo-2-ethyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 146267764) has the molecular formula C20H15BrFN5S and a molecular weight of 456.34 g/mol. Its IUPAC name is 2-[(5-bromo-2-ethyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-[(5-bromo-2-ethyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
PubChem CID146267764
Molecular FormulaC20H15BrFN5S
Molecular Weight456.34 g/mol
Exact Mass455.02
IUPAC Name2-[(5-bromo-2-ethyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESCCc1nn2cc(C)c(Br)cc2c1Nc1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C20H15BrFN5S/c1-3-15-19(16-8-14(21)11(2)10-27(16)26-15)25-20-24-18(17(9-23)28-20)12-4-6-13(22)7-5-12/h4-8,10H,3H2,1-2H3,(H,24,25)
InChIKeyTWXHQHVNBOGEAY-UHFFFAOYSA-N
XLogP5.85
TPSA66.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.34
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-ethyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)amino]-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)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (CID 146267764) is 2-[(5-bromo-2-ethyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)amino]-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)amino]-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)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is CCc1nn2cc(C)c(Br)cc2c1Nc1nc(-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)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The InChIKey is TWXHQHVNBOGEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrFN5S/c1-3-15-19(16-8-14(21)11(2)10-27(16)26-15)25-20-24-18(17(9-23)28-20)12-4-6-13(22)7-5-12/h4-8,10H,3H2,1-2H3,(H,24,25).
What are the key properties of 2-[(5-bromo-2-ethyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
2-[(5-bromo-2-ethyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 456.34 g/mol, XLogP of 5.85, 4 rotatable bonds, 1 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)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 146267764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).