deuterio(fluoro)methane;2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-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-fluorophenyl)-1,3-thiazole-5-carbonitrile;4-hydroxyoxane-4-carboxylic acid

C63H67F5N14O7S2 — CID 158275887

About deuterio(fluoro)methane;2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-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-fluorophenyl)-1,3-thiazole-5-carbonitrile;4-hydroxyoxane-4-carboxylic acid

deuterio(fluoro)methane;2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-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-fluorophenyl)-1,3-thiazole-5-carbonitrile;4-hydroxyoxane-4-carboxylic acid (PubChem CID 158275887) has the molecular formula C63H67F5N14O7S2 and a molecular weight of 1292.45 g/mol. Its IUPAC name is deuterio(fluoro)methane;2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-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-fluorophenyl)-1,3-thiazole-5-carbonitrile;4-hydroxyoxane-4-carboxylic acid.

Molecular Properties

• Compound Name: deuterio(fluoro)methane;2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-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-fluorophenyl)-1,3-thiazole-5-carbonitrile;4-hydroxyoxane-4-carboxylic acid
• PubChem CID: 158275887
• Molecular Formula: C63H67F5N14O7S2
• Molecular Weight: 1292.45 g/mol
• Exact Mass: 1291.47
• IUPAC Name: deuterio(fluoro)methane;2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-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-fluorophenyl)-1,3-thiazole-5-carbonitrile;4-hydroxyoxane-4-carboxylic acid
• SMILES: CCc1nn2cc(F)c(N3CC4(CN(C(=O)C5(O)CCOCC5)C4)C3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nn2cc(F)c(N3CC4(CNC4)C3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.O=C(O)C1(O)CCOCC1.[2H]CF
• InChI: InChI=1S/C31H31F2N7O3S.C25H23F2N7S.C6H10O4.CH3F/c1-3-22-27(37(2)29-35-26(25(13-34)44-29)19-4-6-20(32)7-5-19)24-12-23(21(33)14-40(24)36-22)38-15-30(16-38)17-39(18-30)28(41)31(42)8-10-43-11-9-31;1-3-18-23(32(2)24-30-22(21(9-28)35-24)15-4-6-16(26)7-5-15)20-8-19(17(27)10-34(20)31-18)33-13-25(14-33)11-29-12-25;7-5(8)6(9)1-3-10-4-2-6;1-2/h4-7,12,14,42H,3,8-11,15-18H2,1-2H3;4-8,10,29H,3,11-14H2,1-2H3;9H,1-4H2,(H,7,8);1H3/i;;;1D
• InChIKey: GJPGDGZKZWTJQS-PBJKEDEQSA-N
• XLogP: 8.67
• TPSA: 249.48 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 12
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1292.45
LogP ≤ 5	8.67
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of deuterio(fluoro)methane;2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-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-fluorophenyl)-1,3-thiazole-5-carbonitrile;4-hydroxyoxane-4-carboxylic acid?

The IUPAC name of deuterio(fluoro)methane;2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-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-fluorophenyl)-1,3-thiazole-5-carbonitrile;4-hydroxyoxane-4-carboxylic acid (CID 158275887) is deuterio(fluoro)methane;2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-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-fluorophenyl)-1,3-thiazole-5-carbonitrile;4-hydroxyoxane-4-carboxylic acid.

What is the SMILES notation for deuterio(fluoro)methane;2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-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-fluorophenyl)-1,3-thiazole-5-carbonitrile;4-hydroxyoxane-4-carboxylic acid?

The canonical SMILES for deuterio(fluoro)methane;2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-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-fluorophenyl)-1,3-thiazole-5-carbonitrile;4-hydroxyoxane-4-carboxylic acid is CCc1nn2cc(F)c(N3CC4(CN(C(=O)C5(O)CCOCC5)C4)C3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nn2cc(F)c(N3CC4(CNC4)C3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.O=C(O)C1(O)CCOCC1.[2H]CF.

What is the InChIKey of deuterio(fluoro)methane;2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-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-fluorophenyl)-1,3-thiazole-5-carbonitrile;4-hydroxyoxane-4-carboxylic acid?

The InChIKey is GJPGDGZKZWTJQS-PBJKEDEQSA-N. The full InChI is InChI=1S/C31H31F2N7O3S.C25H23F2N7S.C6H10O4.CH3F/c1-3-22-27(37(2)29-35-26(25(13-34)44-29)19-4-6-20(32)7-5-19)24-12-23(21(33)14-40(24)36-22)38-15-30(16-38)17-39(18-30)28(41)31(42)8-10-43-11-9-31;1-3-18-23(32(2)24-30-22(21(9-28)35-24)15-4-6-16(26)7-5-15)20-8-19(17(27)10-34(20)31-18)33-13-25(14-33)11-29-12-25;7-5(8)6(9)1-3-10-4-2-6;1-2/h4-7,12,14,42H,3,8-11,15-18H2,1-2H3;4-8,10,29H,3,11-14H2,1-2H3;9H,1-4H2,(H,7,8);1H3/i;;;1D.

What are the key properties of deuterio(fluoro)methane;2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-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-fluorophenyl)-1,3-thiazole-5-carbonitrile;4-hydroxyoxane-4-carboxylic acid?

deuterio(fluoro)methane;2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-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-fluorophenyl)-1,3-thiazole-5-carbonitrile;4-hydroxyoxane-4-carboxylic acid has a molecular weight of 1292.45 g/mol, XLogP of 8.67, 12 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for deuterio(fluoro)methane;2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-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-fluorophenyl)-1,3-thiazole-5-carbonitrile;4-hydroxyoxane-4-carboxylic acid is sourced from PubChem (CID 158275887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).