5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-amine;2-[(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl N-(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)carbamate;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

C52H42Br3ClF5N13O2S2 — CID 158102370

About 5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-amine;2-[(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl N-(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)carbamate;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-amine;2-[(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl N-(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)carbamate;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 158102370) has the molecular formula C52H42Br3ClF5N13O2S2 and a molecular weight of 1315.29 g/mol. Its IUPAC name is 5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-amine;2-[(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl N-(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)carbamate;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

• Compound Name: 5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-amine;2-[(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl N-(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)carbamate;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
• PubChem CID: 158102370
• Molecular Formula: C52H42Br3ClF5N13O2S2
• Molecular Weight: 1315.29 g/mol
• Exact Mass: 1311.02
• IUPAC Name: 5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-amine;2-[(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl N-(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)carbamate;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
• SMILES: CCc1nn2cc(F)c(Br)cc2c1N.CCc1nn2cc(F)c(Br)cc2c1NC(=O)OC(C)(C)C.CCc1nn2cc(F)c(Br)cc2c1Nc1nc(-c2ccc(F)cc2)c(C#N)s1.N#Cc1sc(Cl)nc1-c1ccc(F)cc1
• InChI: InChI=1S/C19H12BrF2N5S.C14H17BrFN3O2.C10H4ClFN2S.C9H9BrFN3/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;1-5-10-12(17-13(20)21-14(2,3)4)11-6-8(15)9(16)7-19(11)18-10;11-10-14-9(8(5-13)15-10)6-1-3-7(12)4-2-6;1-2-7-9(12)8-3-5(10)6(11)4-14(8)13-7/h3-7,9H,2H2,1H3,(H,24,25);6-7H,5H2,1-4H3,(H,17,20);1-4H;3-4H,2,12H2,1H3
• InChIKey: FPKOUVBEFYHBBL-UHFFFAOYSA-N
• XLogP: 15.68
• TPSA: 201.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1315.29
LogP ≤ 5	15.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-amine;2-[(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl N-(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)carbamate;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The IUPAC name of 5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-amine;2-[(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl N-(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)carbamate;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (CID 158102370) is 5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-amine;2-[(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl N-(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)carbamate;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

What is the SMILES notation for 5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-amine;2-[(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl N-(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)carbamate;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The canonical SMILES for 5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-amine;2-[(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl N-(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)carbamate;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is CCc1nn2cc(F)c(Br)cc2c1N.CCc1nn2cc(F)c(Br)cc2c1NC(=O)OC(C)(C)C.CCc1nn2cc(F)c(Br)cc2c1Nc1nc(-c2ccc(F)cc2)c(C#N)s1.N#Cc1sc(Cl)nc1-c1ccc(F)cc1.

What is the InChIKey of 5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-amine;2-[(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl N-(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)carbamate;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The InChIKey is FPKOUVBEFYHBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrF2N5S.C14H17BrFN3O2.C10H4ClFN2S.C9H9BrFN3/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;1-5-10-12(17-13(20)21-14(2,3)4)11-6-8(15)9(16)7-19(11)18-10;11-10-14-9(8(5-13)15-10)6-1-3-7(12)4-2-6;1-2-7-9(12)8-3-5(10)6(11)4-14(8)13-7/h3-7,9H,2H2,1H3,(H,24,25);6-7H,5H2,1-4H3,(H,17,20);1-4H;3-4H,2,12H2,1H3.

What are the key properties of 5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-amine;2-[(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl N-(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)carbamate;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-amine;2-[(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl N-(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)carbamate;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 1315.29 g/mol, XLogP of 15.68, 8 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-amine;2-[(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl N-(5-bromo-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)carbamate;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 158102370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).