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

C19H12BrF2N5S — CID 146267886

IUPAC2-[(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESCCc1nn2cc(F)c(Br)cc2c1Nc1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C19H12BrF2N5S/c1-2-14-18(15-7-12(20)13(22)9-27(15)26-14)25-19-24-17(16(8-23)28-19)10-3-5-11(21)6-4-10/h3-7,9H,2H2,1H3,(H,24,25)
InChIKeyUSDSMOMUNUUJMJ-UHFFFAOYSA-N
MW460.31 g/mol
LogP5.68
Rot. Bonds4

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

2-[(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 146267886) has the molecular formula C19H12BrF2N5S and a molecular weight of 460.31 g/mol. Its IUPAC name is 2-[(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-[(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
PubChem CID146267886
Molecular FormulaC19H12BrF2N5S
Molecular Weight460.31 g/mol
Exact Mass459.00
IUPAC Name2-[(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESCCc1nn2cc(F)c(Br)cc2c1Nc1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C19H12BrF2N5S/c1-2-14-18(15-7-12(20)13(22)9-27(15)26-14)25-19-24-17(16(8-23)28-19)10-3-5-11(21)6-4-10/h3-7,9H,2H2,1H3,(H,24,25)
InChIKeyUSDSMOMUNUUJMJ-UHFFFAOYSA-N
XLogP5.68
TPSA66.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.31
LogP ≤ 55.68
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-fluoropyrazolo[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-fluoropyrazolo[1,5-a]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (CID 146267886) is 2-[(5-bromo-2-ethyl-6-fluoropyrazolo[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-fluoropyrazolo[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-fluoropyrazolo[1,5-a]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is CCc1nn2cc(F)c(Br)cc2c1Nc1nc(-c2ccc(F)cc2)c(C#N)s1.
What is the InChIKey of 2-[(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The InChIKey is USDSMOMUNUUJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrF2N5S/c1-2-14-18(15-7-12(20)13(22)9-27(15)26-14)25-19-24-17(16(8-23)28-19)10-3-5-11(21)6-4-10/h3-7,9H,2H2,1H3,(H,24,25).
What are the key properties of 2-[(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
2-[(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 460.31 g/mol, XLogP of 5.68, 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-fluoropyrazolo[1,5-a]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 146267886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).