2-[[2-ethyl-6-fluoro-5-[2-[(3R)-3-hydroxyoxolane-3-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

C31H32FN7O3S — CID 158159134

About 2-[[2-ethyl-6-fluoro-5-[2-[(3R)-3-hydroxyoxolane-3-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-ethyl-6-fluoro-5-[2-[(3R)-3-hydroxyoxolane-3-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 158159134) has the molecular formula C31H32FN7O3S and a molecular weight of 601.71 g/mol. Its IUPAC name is 2-[[2-ethyl-6-fluoro-5-[2-[(3R)-3-hydroxyoxolane-3-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-ethyl-6-fluoro-5-[2-[(3R)-3-hydroxyoxolane-3-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: 158159134
• Molecular Formula: C31H32FN7O3S
• Molecular Weight: 601.71 g/mol
• Exact Mass: 601.23
• IUPAC Name: 2-[[2-ethyl-6-fluoro-5-[2-[(3R)-3-hydroxyoxolane-3-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: CCc1nn2cc(F)c(N3CC4(CN(C(=O)[C@@]5(O)CCOC5)C4)C3)cc2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1
• InChI: InChI=1S/C31H32FN7O3S/c1-4-22-27(36(3)29-34-26(25(12-33)43-29)20-7-5-19(2)6-8-20)24-11-23(21(32)13-39(24)35-22)37-14-30(15-37)16-38(17-30)28(40)31(41)9-10-42-18-31/h5-8,11,13,41H,4,9-10,14-18H2,1-3H3/t31-/m1/s1
• InChIKey: LCRROCPNEAXZBM-WJOKGBTCSA-N
• XLogP: 3.91
• TPSA: 110.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	601.71
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethyl-6-fluoro-5-[2-[(3R)-3-hydroxyoxolane-3-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-ethyl-6-fluoro-5-[2-[(3R)-3-hydroxyoxolane-3-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 158159134) is 2-[[2-ethyl-6-fluoro-5-[2-[(3R)-3-hydroxyoxolane-3-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-ethyl-6-fluoro-5-[2-[(3R)-3-hydroxyoxolane-3-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-ethyl-6-fluoro-5-[2-[(3R)-3-hydroxyoxolane-3-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 CCc1nn2cc(F)c(N3CC4(CN(C(=O)[C@@]5(O)CCOC5)C4)C3)cc2c1N(C)c1nc(-c2ccc(C)cc2)c(C#N)s1.

What is the InChIKey of 2-[[2-ethyl-6-fluoro-5-[2-[(3R)-3-hydroxyoxolane-3-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 LCRROCPNEAXZBM-WJOKGBTCSA-N. The full InChI is InChI=1S/C31H32FN7O3S/c1-4-22-27(36(3)29-34-26(25(12-33)43-29)20-7-5-19(2)6-8-20)24-11-23(21(32)13-39(24)35-22)37-14-30(15-37)16-38(17-30)28(40)31(41)9-10-42-18-31/h5-8,11,13,41H,4,9-10,14-18H2,1-3H3/t31-/m1/s1.

What are the key properties of 2-[[2-ethyl-6-fluoro-5-[2-[(3R)-3-hydroxyoxolane-3-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-ethyl-6-fluoro-5-[2-[(3R)-3-hydroxyoxolane-3-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 601.71 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-ethyl-6-fluoro-5-[2-[(3R)-3-hydroxyoxolane-3-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 158159134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).