2-[[2-cyclopropyl-6-fluoro-5-[2-(4-hydroxyoxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile

C33H34FN7O3S — CID 159979185

About 2-[[2-cyclopropyl-6-fluoro-5-[2-(4-hydroxyoxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile

2-[[2-cyclopropyl-6-fluoro-5-[2-(4-hydroxyoxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 159979185) has the molecular formula C33H34FN7O3S and a molecular weight of 627.75 g/mol. Its IUPAC name is 2-[[2-cyclopropyl-6-fluoro-5-[2-(4-hydroxyoxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

• Compound Name: 2-[[2-cyclopropyl-6-fluoro-5-[2-(4-hydroxyoxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile
• PubChem CID: 159979185
• Molecular Formula: C33H34FN7O3S
• Molecular Weight: 627.75 g/mol
• Exact Mass: 627.24
• IUPAC Name: 2-[[2-cyclopropyl-6-fluoro-5-[2-(4-hydroxyoxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile
• SMILES: Cc1ccc(-c2nc(N(C)c3c(C4CC4)nn4cc(F)c(N5CC6(CN(C(=O)C7(O)CCOCC7)C6)C5)cc34)sc2C#N)cc1
• InChI: InChI=1S/C33H34FN7O3S/c1-20-3-5-21(6-4-20)27-26(14-35)45-31(36-27)38(2)29-25-13-24(23(34)15-41(25)37-28(29)22-7-8-22)39-16-32(17-39)18-40(19-32)30(42)33(43)9-11-44-12-10-33/h3-6,13,15,22,43H,7-12,16-19H2,1-2H3
• InChIKey: PULOPZHZIUFJLX-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 110.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	627.75
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[[2-cyclopropyl-6-fluoro-5-[2-(4-hydroxyoxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile?

The IUPAC name of 2-[[2-cyclopropyl-6-fluoro-5-[2-(4-hydroxyoxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile (CID 159979185) is 2-[[2-cyclopropyl-6-fluoro-5-[2-(4-hydroxyoxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile.

What is the SMILES notation for 2-[[2-cyclopropyl-6-fluoro-5-[2-(4-hydroxyoxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile?

The canonical SMILES for 2-[[2-cyclopropyl-6-fluoro-5-[2-(4-hydroxyoxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile is Cc1ccc(-c2nc(N(C)c3c(C4CC4)nn4cc(F)c(N5CC6(CN(C(=O)C7(O)CCOCC7)C6)C5)cc34)sc2C#N)cc1.

What is the InChIKey of 2-[[2-cyclopropyl-6-fluoro-5-[2-(4-hydroxyoxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile?

The InChIKey is PULOPZHZIUFJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34FN7O3S/c1-20-3-5-21(6-4-20)27-26(14-35)45-31(36-27)38(2)29-25-13-24(23(34)15-41(25)37-28(29)22-7-8-22)39-16-32(17-39)18-40(19-32)30(42)33(43)9-11-44-12-10-33/h3-6,13,15,22,43H,7-12,16-19H2,1-2H3.

What are the key properties of 2-[[2-cyclopropyl-6-fluoro-5-[2-(4-hydroxyoxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile?

2-[[2-cyclopropyl-6-fluoro-5-[2-(4-hydroxyoxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 627.75 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-cyclopropyl-6-fluoro-5-[2-(4-hydroxyoxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 159979185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).