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

C43H32Br2F2N10S2 — CID 162069127

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

2-[(5-bromo-2-cyclopropyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-cyclopropyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 162069127) has the molecular formula C43H32Br2F2N10S2 and a molecular weight of 950.74 g/mol. Its IUPAC name is 2-[(5-bromo-2-cyclopropyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-cyclopropyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

• Compound Name: 2-[(5-bromo-2-cyclopropyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-cyclopropyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
• PubChem CID: 162069127
• Molecular Formula: C43H32Br2F2N10S2
• Molecular Weight: 950.74 g/mol
• Exact Mass: 948.06
• IUPAC Name: 2-[(5-bromo-2-cyclopropyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-cyclopropyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
• SMILES: Cc1cn2nc(C3CC3)c(N(C)c3nc(-c4ccc(F)cc4)c(C#N)s3)c2cc1Br.Cc1cn2nc(C3CC3)c(Nc3nc(-c4ccc(F)cc4)c(C#N)s3)c2cc1Br
• InChI: InChI=1S/C22H17BrFN5S.C21H15BrFN5S/c1-12-11-29-17(9-16(12)23)21(20(27-29)14-3-4-14)28(2)22-26-19(18(10-25)30-22)13-5-7-15(24)8-6-13;1-11-10-28-16(8-15(11)22)20(19(27-28)13-2-3-13)26-21-25-18(17(9-24)29-21)12-4-6-14(23)7-5-12/h5-9,11,14H,3-4H2,1-2H3;4-8,10,13H,2-3H2,1H3,(H,25,26)
• InChIKey: ZAVNAKWDGJQOEL-UHFFFAOYSA-N
• XLogP: 12.35
• TPSA: 123.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	950.74
LogP ≤ 5	12.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-cyclopropyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-cyclopropyl-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-cyclopropyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-cyclopropyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (CID 162069127) is 2-[(5-bromo-2-cyclopropyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-cyclopropyl-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-cyclopropyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-cyclopropyl-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-cyclopropyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-cyclopropyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is Cc1cn2nc(C3CC3)c(N(C)c3nc(-c4ccc(F)cc4)c(C#N)s3)c2cc1Br.Cc1cn2nc(C3CC3)c(Nc3nc(-c4ccc(F)cc4)c(C#N)s3)c2cc1Br.

What is the InChIKey of 2-[(5-bromo-2-cyclopropyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-cyclopropyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The InChIKey is ZAVNAKWDGJQOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrFN5S.C21H15BrFN5S/c1-12-11-29-17(9-16(12)23)21(20(27-29)14-3-4-14)28(2)22-26-19(18(10-25)30-22)13-5-7-15(24)8-6-13;1-11-10-28-16(8-15(11)22)20(19(27-28)13-2-3-13)26-21-25-18(17(9-24)29-21)12-4-6-14(23)7-5-12/h5-9,11,14H,3-4H2,1-2H3;4-8,10,13H,2-3H2,1H3,(H,25,26).

What are the key properties of 2-[(5-bromo-2-cyclopropyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-cyclopropyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

2-[(5-bromo-2-cyclopropyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-cyclopropyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 950.74 g/mol, XLogP of 12.35, 8 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-bromo-2-cyclopropyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-cyclopropyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 162069127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).