2-[[5-(2,6-diazaspiro[3.4]octan-6-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-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;(3S)-oxolane-3-carboxylic acid

C64H70F2N14O5S2 — CID 159109807

IUPAC2-[[5-(2,6-diazaspiro[3.4]octan-6-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-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;(3S)-oxolane-3-carboxylic acid
SMILESCCc1nn2c(C)cc(N3CCC4(CN(C(=O)[C@H]5CCOC5)C4)C3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nn2c(C)cc(N3CCC4(CNC4)C3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.O=C(O)[C@H]1CCOC1
InChIInChI=1S/C32H34FN7O2S.C27H28FN7S.C5H8O3/c1-4-25-29(37(3)31-35-28(27(15-34)43-31)21-5-7-23(33)8-6-21)26-14-24(13-20(2)40(26)36-25)38-11-10-32(17-38)18-39(19-32)30(41)22-9-12-42-16-22;1-4-21-25(33(3)26-31-24(23(13-29)36-26)18-5-7-19(28)8-6-18)22-12-20(11-17(2)35(22)32-21)34-10-9-27(16-34)14-30-15-27;6-5(7)4-1-2-8-3-4/h5-8,13-14,22H,4,9-12,16-19H2,1-3H3;5-8,11-12,30H,4,9-10,14-16H2,1-3H3;4H,1-3H2,(H,6,7)/t22-;;4-/m0.0/s1
InChIKeyKEIPXZFJKWFIKX-YFCXJEHFSA-N
MW1217.49 g/mol
LogP10.20
Rot. Bonds12

About 2-[[5-(2,6-diazaspiro[3.4]octan-6-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-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;(3S)-oxolane-3-carboxylic acid

2-[[5-(2,6-diazaspiro[3.4]octan-6-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-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;(3S)-oxolane-3-carboxylic acid (PubChem CID 159109807) has the molecular formula C64H70F2N14O5S2 and a molecular weight of 1217.49 g/mol. Its IUPAC name is 2-[[5-(2,6-diazaspiro[3.4]octan-6-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-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;(3S)-oxolane-3-carboxylic acid.

Molecular Properties

Compound Name2-[[5-(2,6-diazaspiro[3.4]octan-6-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-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;(3S)-oxolane-3-carboxylic acid
PubChem CID159109807
Molecular FormulaC64H70F2N14O5S2
Molecular Weight1217.49 g/mol
Exact Mass1216.51
IUPAC Name2-[[5-(2,6-diazaspiro[3.4]octan-6-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-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;(3S)-oxolane-3-carboxylic acid
SMILESCCc1nn2c(C)cc(N3CCC4(CN(C(=O)[C@H]5CCOC5)C4)C3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nn2c(C)cc(N3CCC4(CNC4)C3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.O=C(O)[C@H]1CCOC1
InChIInChI=1S/C32H34FN7O2S.C27H28FN7S.C5H8O3/c1-4-25-29(37(3)31-35-28(27(15-34)43-31)21-5-7-23(33)8-6-21)26-14-24(13-20(2)40(26)36-25)38-11-10-32(17-38)18-39(19-32)30(41)22-9-12-42-16-22;1-4-21-25(33(3)26-31-24(23(13-29)36-26)18-5-7-19(28)8-6-18)22-12-20(11-17(2)35(22)32-21)34-10-9-27(16-34)14-30-15-27;6-5(7)4-1-2-8-3-4/h5-8,13-14,22H,4,9-12,16-19H2,1-3H3;5-8,11-12,30H,4,9-10,14-16H2,1-3H3;4H,1-3H2,(H,6,7)/t22-;;4-/m0.0/s1
InChIKeyKEIPXZFJKWFIKX-YFCXJEHFSA-N
XLogP10.20
TPSA209.02 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds12
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001217.49
LogP ≤ 510.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Analyze 2-[[5-(2,6-diazaspiro[3.4]octan-6-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-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;(3S)-oxolane-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2,6-diazaspiro[3.4]octan-6-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-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;(3S)-oxolane-3-carboxylic acid?
The IUPAC name of 2-[[5-(2,6-diazaspiro[3.4]octan-6-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-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;(3S)-oxolane-3-carboxylic acid (CID 159109807) is 2-[[5-(2,6-diazaspiro[3.4]octan-6-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-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;(3S)-oxolane-3-carboxylic acid.
What is the SMILES notation for 2-[[5-(2,6-diazaspiro[3.4]octan-6-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-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;(3S)-oxolane-3-carboxylic acid?
The canonical SMILES for 2-[[5-(2,6-diazaspiro[3.4]octan-6-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-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;(3S)-oxolane-3-carboxylic acid is CCc1nn2c(C)cc(N3CCC4(CN(C(=O)[C@H]5CCOC5)C4)C3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nn2c(C)cc(N3CCC4(CNC4)C3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.O=C(O)[C@H]1CCOC1.
What is the InChIKey of 2-[[5-(2,6-diazaspiro[3.4]octan-6-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-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;(3S)-oxolane-3-carboxylic acid?
The InChIKey is KEIPXZFJKWFIKX-YFCXJEHFSA-N. The full InChI is InChI=1S/C32H34FN7O2S.C27H28FN7S.C5H8O3/c1-4-25-29(37(3)31-35-28(27(15-34)43-31)21-5-7-23(33)8-6-21)26-14-24(13-20(2)40(26)36-25)38-11-10-32(17-38)18-39(19-32)30(41)22-9-12-42-16-22;1-4-21-25(33(3)26-31-24(23(13-29)36-26)18-5-7-19(28)8-6-18)22-12-20(11-17(2)35(22)32-21)34-10-9-27(16-34)14-30-15-27;6-5(7)4-1-2-8-3-4/h5-8,13-14,22H,4,9-12,16-19H2,1-3H3;5-8,11-12,30H,4,9-10,14-16H2,1-3H3;4H,1-3H2,(H,6,7)/t22-;;4-/m0.0/s1.
What are the key properties of 2-[[5-(2,6-diazaspiro[3.4]octan-6-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-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;(3S)-oxolane-3-carboxylic acid?
2-[[5-(2,6-diazaspiro[3.4]octan-6-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-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;(3S)-oxolane-3-carboxylic acid has a molecular weight of 1217.49 g/mol, XLogP of 10.20, 12 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2,6-diazaspiro[3.4]octan-6-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-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;(3S)-oxolane-3-carboxylic acid is sourced from PubChem (CID 159109807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).