2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-methyl-5-[2-(oxolane-2-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

C57H58F2N14O2S2 — CID 158816129

IUPAC2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-methyl-5-[2-(oxolane-2-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
SMILESCCc1nn2c(C)cc(N3CC4(CN(C(=O)C5CCCO5)C4)C3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nn2c(C)cc(N3CC4(CNC4)C3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C31H32FN7O2S.C26H26FN7S/c1-4-23-28(36(3)30-34-27(26(14-33)42-30)20-7-9-21(32)10-8-20)24-13-22(12-19(2)39(24)35-23)37-15-31(16-37)17-38(18-31)29(40)25-6-5-11-41-25;1-4-20-24(32(3)25-30-23(22(11-28)35-25)17-5-7-18(27)8-6-17)21-10-19(9-16(2)34(21)31-20)33-14-26(15-33)12-29-13-26/h7-10,12-13,25H,4-6,11,15-18H2,1-3H3;5-10,29H,4,12-15H2,1-3H3
InChIKeyIVHDGKZQPHGVFB-UHFFFAOYSA-N
MW1073.32 g/mol
LogP9.45
Rot. Bonds11

About 2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-methyl-5-[2-(oxolane-2-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

2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-methyl-5-[2-(oxolane-2-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 (PubChem CID 158816129) has the molecular formula C57H58F2N14O2S2 and a molecular weight of 1073.32 g/mol. Its IUPAC name is 2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-methyl-5-[2-(oxolane-2-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.

Molecular Properties

Compound Name2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-methyl-5-[2-(oxolane-2-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
PubChem CID158816129
Molecular FormulaC57H58F2N14O2S2
Molecular Weight1073.32 g/mol
Exact Mass1072.43
IUPAC Name2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-methyl-5-[2-(oxolane-2-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
SMILESCCc1nn2c(C)cc(N3CC4(CN(C(=O)C5CCCO5)C4)C3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nn2c(C)cc(N3CC4(CNC4)C3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C31H32FN7O2S.C26H26FN7S/c1-4-23-28(36(3)30-34-27(26(14-33)42-30)20-7-9-21(32)10-8-20)24-13-22(12-19(2)39(24)35-23)37-15-31(16-37)17-38(18-31)29(40)25-6-5-11-41-25;1-4-20-24(32(3)25-30-23(22(11-28)35-25)17-5-7-18(27)8-6-17)21-10-19(9-16(2)34(21)31-20)33-14-26(15-33)12-29-13-26/h7-10,12-13,25H,4-6,11,15-18H2,1-3H3;5-10,29H,4,12-15H2,1-3H3
InChIKeyIVHDGKZQPHGVFB-UHFFFAOYSA-N
XLogP9.45
TPSA162.49 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds11
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001073.32
LogP ≤ 59.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Analyze 2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-methyl-5-[2-(oxolane-2-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-methyl-5-[2-(oxolane-2-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?
The IUPAC name of 2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-methyl-5-[2-(oxolane-2-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 (CID 158816129) is 2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-methyl-5-[2-(oxolane-2-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.
What is the SMILES notation for 2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-methyl-5-[2-(oxolane-2-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?
The canonical SMILES for 2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-methyl-5-[2-(oxolane-2-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 is CCc1nn2c(C)cc(N3CC4(CN(C(=O)C5CCCO5)C4)C3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nn2c(C)cc(N3CC4(CNC4)C3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.
What is the InChIKey of 2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-methyl-5-[2-(oxolane-2-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?
The InChIKey is IVHDGKZQPHGVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32FN7O2S.C26H26FN7S/c1-4-23-28(36(3)30-34-27(26(14-33)42-30)20-7-9-21(32)10-8-20)24-13-22(12-19(2)39(24)35-23)37-15-31(16-37)17-38(18-31)29(40)25-6-5-11-41-25;1-4-20-24(32(3)25-30-23(22(11-28)35-25)17-5-7-18(27)8-6-17)21-10-19(9-16(2)34(21)31-20)33-14-26(15-33)12-29-13-26/h7-10,12-13,25H,4-6,11,15-18H2,1-3H3;5-10,29H,4,12-15H2,1-3H3.
What are the key properties of 2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-methyl-5-[2-(oxolane-2-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?
2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-methyl-5-[2-(oxolane-2-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 has a molecular weight of 1073.32 g/mol, XLogP of 9.45, 11 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-methyl-5-[2-(oxolane-2-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 is sourced from PubChem (CID 158816129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).