5-bromo-2-ethyl-N-methylpyrazolo[1,5-a]pyridin-3-amine;2-[(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

C40H31Br2ClF2N10S2 — CID 159046829

About 5-bromo-2-ethyl-N-methylpyrazolo[1,5-a]pyridin-3-amine;2-[(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

5-bromo-2-ethyl-N-methylpyrazolo[1,5-a]pyridin-3-amine;2-[(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 159046829) has the molecular formula C40H31Br2ClF2N10S2 and a molecular weight of 949.15 g/mol. Its IUPAC name is 5-bromo-2-ethyl-N-methylpyrazolo[1,5-a]pyridin-3-amine;2-[(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

• Compound Name: 5-bromo-2-ethyl-N-methylpyrazolo[1,5-a]pyridin-3-amine;2-[(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
• PubChem CID: 159046829
• Molecular Formula: C40H31Br2ClF2N10S2
• Molecular Weight: 949.15 g/mol
• Exact Mass: 946.02
• IUPAC Name: 5-bromo-2-ethyl-N-methylpyrazolo[1,5-a]pyridin-3-amine;2-[(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
• SMILES: CCc1nn2ccc(Br)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nn2ccc(Br)cc2c1NC.N#Cc1sc(Cl)nc1-c1ccc(F)cc1
• InChI: InChI=1S/C20H15BrFN5S.C10H12BrN3.C10H4ClFN2S/c1-3-15-19(16-10-13(21)8-9-27(16)25-15)26(2)20-24-18(17(11-23)28-20)12-4-6-14(22)7-5-12;1-3-8-10(12-2)9-6-7(11)4-5-14(9)13-8;11-10-14-9(8(5-13)15-10)6-1-3-7(12)4-2-6/h4-10H,3H2,1-2H3;4-6,12H,3H2,1-2H3;1-4H
• InChIKey: JWTMRFORDWXKMT-UHFFFAOYSA-N
• XLogP: 11.74
• TPSA: 123.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	949.15
LogP ≤ 5	11.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethyl-N-methylpyrazolo[1,5-a]pyridin-3-amine;2-[(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The IUPAC name of 5-bromo-2-ethyl-N-methylpyrazolo[1,5-a]pyridin-3-amine;2-[(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (CID 159046829) is 5-bromo-2-ethyl-N-methylpyrazolo[1,5-a]pyridin-3-amine;2-[(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

What is the SMILES notation for 5-bromo-2-ethyl-N-methylpyrazolo[1,5-a]pyridin-3-amine;2-[(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The canonical SMILES for 5-bromo-2-ethyl-N-methylpyrazolo[1,5-a]pyridin-3-amine;2-[(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is CCc1nn2ccc(Br)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nn2ccc(Br)cc2c1NC.N#Cc1sc(Cl)nc1-c1ccc(F)cc1.

What is the InChIKey of 5-bromo-2-ethyl-N-methylpyrazolo[1,5-a]pyridin-3-amine;2-[(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The InChIKey is JWTMRFORDWXKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrFN5S.C10H12BrN3.C10H4ClFN2S/c1-3-15-19(16-10-13(21)8-9-27(16)25-15)26(2)20-24-18(17(11-23)28-20)12-4-6-14(22)7-5-12;1-3-8-10(12-2)9-6-7(11)4-5-14(9)13-8;11-10-14-9(8(5-13)15-10)6-1-3-7(12)4-2-6/h4-10H,3H2,1-2H3;4-6,12H,3H2,1-2H3;1-4H.

What are the key properties of 5-bromo-2-ethyl-N-methylpyrazolo[1,5-a]pyridin-3-amine;2-[(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

5-bromo-2-ethyl-N-methylpyrazolo[1,5-a]pyridin-3-amine;2-[(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 949.15 g/mol, XLogP of 11.74, 7 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-ethyl-N-methylpyrazolo[1,5-a]pyridin-3-amine;2-[(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 159046829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).