2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

C31H33FN8O2S — CID 146267627

About 2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 146267627) has the molecular formula C31H33FN8O2S and a molecular weight of 600.72 g/mol. Its IUPAC name is 2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

• Compound Name: 2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
• PubChem CID: 146267627
• Molecular Formula: C31H33FN8O2S
• Molecular Weight: 600.72 g/mol
• Exact Mass: 600.24
• IUPAC Name: 2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
• SMILES: CCc1nn2ccc(N3CCC4(CCN(C(=O)N5CC(O)C5)C4)C3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
• InChI: InChI=1S/C31H33FN8O2S/c1-3-24-28(36(2)29-34-27(26(15-33)43-29)20-4-6-21(32)7-5-20)25-14-22(8-11-40(25)35-24)37-12-9-31(18-37)10-13-38(19-31)30(42)39-16-23(41)17-39/h4-8,11,14,23,41H,3,9-10,12-13,16-19H2,1-2H3
• InChIKey: ZFZUKTFGVRWLEM-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 104.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	600.72
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The IUPAC name of 2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (CID 146267627) is 2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

What is the SMILES notation for 2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The canonical SMILES for 2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is CCc1nn2ccc(N3CCC4(CCN(C(=O)N5CC(O)C5)C4)C3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.

What is the InChIKey of 2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The InChIKey is ZFZUKTFGVRWLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33FN8O2S/c1-3-24-28(36(2)29-34-27(26(15-33)43-29)20-4-6-21(32)7-5-20)25-14-22(8-11-40(25)35-24)37-12-9-31(18-37)10-13-38(19-31)30(42)39-16-23(41)17-39/h4-8,11,14,23,41H,3,9-10,12-13,16-19H2,1-2H3.

What are the key properties of 2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 600.72 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 146267627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).