2-[(5-bromo-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-5-[4-(3-hydroxyazetidin-1-yl)piperidin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1-piperidin-4-ylazetidin-3-ol

C60H65BrF2N14O2S2 — CID 158349955

About 2-[(5-bromo-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-5-[4-(3-hydroxyazetidin-1-yl)piperidin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1-piperidin-4-ylazetidin-3-ol

2-[(5-bromo-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-5-[4-(3-hydroxyazetidin-1-yl)piperidin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1-piperidin-4-ylazetidin-3-ol (PubChem CID 158349955) has the molecular formula C60H65BrF2N14O2S2 and a molecular weight of 1196.31 g/mol. Its IUPAC name is 2-[(5-bromo-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-5-[4-(3-hydroxyazetidin-1-yl)piperidin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1-piperidin-4-ylazetidin-3-ol.

Molecular Properties

• Compound Name: 2-[(5-bromo-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-5-[4-(3-hydroxyazetidin-1-yl)piperidin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1-piperidin-4-ylazetidin-3-ol
• PubChem CID: 158349955
• Molecular Formula: C60H65BrF2N14O2S2
• Molecular Weight: 1196.31 g/mol
• Exact Mass: 1194.40
• IUPAC Name: 2-[(5-bromo-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-5-[4-(3-hydroxyazetidin-1-yl)piperidin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1-piperidin-4-ylazetidin-3-ol
• SMILES: Cc1cc(Br)cc2c(N(C)c3nc(-c4ccc(F)cc4)c(C#N)s3)c(C3CC3)nn12.Cc1cc(N2CCC(N3CC(O)C3)CC2)cc2c(N(C)c3nc(-c4ccc(F)cc4)c(C#N)s3)c(C3CC3)nn12.OC1CN(C2CCNCC2)C1
• InChI: InChI=1S/C30H32FN7OS.C22H17BrFN5S.C8H16N2O/c1-18-13-23(36-11-9-22(10-12-36)37-16-24(39)17-37)14-25-29(28(20-3-4-20)34-38(18)25)35(2)30-33-27(26(15-32)40-30)19-5-7-21(31)8-6-19;1-12-9-15(23)10-17-21(20(14-3-4-14)27-29(12)17)28(2)22-26-19(18(11-25)30-22)13-5-7-16(24)8-6-13;11-8-5-10(6-8)7-1-3-9-4-2-7/h5-8,13-14,20,22,24,39H,3-4,9-12,16-17H2,1-2H3;5-10,14H,3-4H2,1-2H3;7-9,11H,1-6H2
• InChIKey: GSEOAPPJWQUDLJ-UHFFFAOYSA-N
• XLogP: 10.67
• TPSA: 176.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 11
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1196.31
LogP ≤ 5	10.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-5-[4-(3-hydroxyazetidin-1-yl)piperidin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1-piperidin-4-ylazetidin-3-ol?

The IUPAC name of 2-[(5-bromo-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-5-[4-(3-hydroxyazetidin-1-yl)piperidin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1-piperidin-4-ylazetidin-3-ol (CID 158349955) is 2-[(5-bromo-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-5-[4-(3-hydroxyazetidin-1-yl)piperidin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1-piperidin-4-ylazetidin-3-ol.

What is the SMILES notation for 2-[(5-bromo-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-5-[4-(3-hydroxyazetidin-1-yl)piperidin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1-piperidin-4-ylazetidin-3-ol?

The canonical SMILES for 2-[(5-bromo-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-5-[4-(3-hydroxyazetidin-1-yl)piperidin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1-piperidin-4-ylazetidin-3-ol is Cc1cc(Br)cc2c(N(C)c3nc(-c4ccc(F)cc4)c(C#N)s3)c(C3CC3)nn12.Cc1cc(N2CCC(N3CC(O)C3)CC2)cc2c(N(C)c3nc(-c4ccc(F)cc4)c(C#N)s3)c(C3CC3)nn12.OC1CN(C2CCNCC2)C1.

What is the InChIKey of 2-[(5-bromo-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-5-[4-(3-hydroxyazetidin-1-yl)piperidin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1-piperidin-4-ylazetidin-3-ol?

The InChIKey is GSEOAPPJWQUDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN7OS.C22H17BrFN5S.C8H16N2O/c1-18-13-23(36-11-9-22(10-12-36)37-16-24(39)17-37)14-25-29(28(20-3-4-20)34-38(18)25)35(2)30-33-27(26(15-32)40-30)19-5-7-21(31)8-6-19;1-12-9-15(23)10-17-21(20(14-3-4-14)27-29(12)17)28(2)22-26-19(18(11-25)30-22)13-5-7-16(24)8-6-13;11-8-5-10(6-8)7-1-3-9-4-2-7/h5-8,13-14,20,22,24,39H,3-4,9-12,16-17H2,1-2H3;5-10,14H,3-4H2,1-2H3;7-9,11H,1-6H2.

What are the key properties of 2-[(5-bromo-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-5-[4-(3-hydroxyazetidin-1-yl)piperidin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1-piperidin-4-ylazetidin-3-ol?

2-[(5-bromo-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-5-[4-(3-hydroxyazetidin-1-yl)piperidin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1-piperidin-4-ylazetidin-3-ol has a molecular weight of 1196.31 g/mol, XLogP of 10.67, 11 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-bromo-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-5-[4-(3-hydroxyazetidin-1-yl)piperidin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1-piperidin-4-ylazetidin-3-ol is sourced from PubChem (CID 158349955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).