2-[(5-bromo-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-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

C51H46BrF4N13O2S2 — CID 157456526

IUPAC2-[(5-bromo-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-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESCCc1nn2cc(F)c(Br)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nn2cc(F)c(N3CCC4(CC3)CN(C(=O)N3CC(O)C3)C4)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C31H32F2N8O2S.C20H14BrF2N5S/c1-3-23-28(37(2)29-35-27(26(13-34)44-29)19-4-6-20(32)7-5-19)25-12-24(22(33)16-41(25)36-23)38-10-8-31(9-11-38)17-40(18-31)30(43)39-14-21(42)15-39;1-3-15-19(16-8-13(21)14(23)10-28(16)26-15)27(2)20-25-18(17(9-24)29-20)11-4-6-12(22)7-5-11/h4-7,12,16,21,42H,3,8-11,14-15,17-18H2,1-2H3;4-8,10H,3H2,1-2H3
InChIKeyBTKNNWMTAMPBKB-UHFFFAOYSA-N
MW1093.05 g/mol
LogP10.34
Rot. Bonds9

About 2-[(5-bromo-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-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

2-[(5-bromo-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-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 157456526) has the molecular formula C51H46BrF4N13O2S2 and a molecular weight of 1093.05 g/mol. Its IUPAC name is 2-[(5-bromo-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-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-[(5-bromo-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-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
PubChem CID157456526
Molecular FormulaC51H46BrF4N13O2S2
Molecular Weight1093.05 g/mol
Exact Mass1091.25
IUPAC Name2-[(5-bromo-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-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESCCc1nn2cc(F)c(Br)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nn2cc(F)c(N3CCC4(CC3)CN(C(=O)N3CC(O)C3)C4)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C31H32F2N8O2S.C20H14BrF2N5S/c1-3-23-28(37(2)29-35-27(26(13-34)44-29)19-4-6-20(32)7-5-19)25-12-24(22(33)16-41(25)36-23)38-10-8-31(9-11-38)17-40(18-31)30(43)39-14-21(42)15-39;1-3-15-19(16-8-13(21)14(23)10-28(16)26-15)27(2)20-25-18(17(9-24)29-20)11-4-6-12(22)7-5-11/h4-7,12,16,21,42H,3,8-11,14-15,17-18H2,1-2H3;4-8,10H,3H2,1-2H3
InChIKeyBTKNNWMTAMPBKB-UHFFFAOYSA-N
XLogP10.34
TPSA161.46 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001093.05
LogP ≤ 510.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Analyze 2-[(5-bromo-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-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile with MolForge

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Related Compounds

2-((2-Ethyl-5-(4-(2-(3-hydroxyazetidin-1-yl)-2-oxoethyl)piperazin-1-yl)pyrazolo[1,5-a]pyridin-3-yl)(methyl)amino)-4-(4-fluorophenyl)thiazole-5-carbonitrile
CID 146267606
2-[[5-[5,5-Difluoro-2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-7-yl]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 146267508
2-[[2-Ethyl-5-[7-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-2-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 146267544
2-[[2-Ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-7-azaspiro[3.5]nonan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 146267553
2-[[2-Ethyl-5-[4-(3-hydroxyazetidine-1-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 146267556
2-[[2-Ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 146267565
2-[[2-ethyl-5-[4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 146267590
2-[[2-Ethyl-6-fluoro-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 146267591
2-[[2-Ethyl-6-fluoro-5-[4-(3-hydroxyazetidine-1-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 146267593
2-[[2-Ethyl-6-fluoro-5-[2-(3-hydroxyazetidine-1-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
CID 146267594
2-[[2-Ethyl-5-[4-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 146267595
2-[[2-ethyl-6-fluoro-5-[4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 146267597

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-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-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-[(5-bromo-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-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (CID 157456526) is 2-[(5-bromo-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-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.5]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-[(5-bromo-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-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-[(5-bromo-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-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is CCc1nn2cc(F)c(Br)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nn2cc(F)c(N3CCC4(CC3)CN(C(=O)N3CC(O)C3)C4)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.
What is the InChIKey of 2-[(5-bromo-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-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The InChIKey is BTKNNWMTAMPBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32F2N8O2S.C20H14BrF2N5S/c1-3-23-28(37(2)29-35-27(26(13-34)44-29)19-4-6-20(32)7-5-19)25-12-24(22(33)16-41(25)36-23)38-10-8-31(9-11-38)17-40(18-31)30(43)39-14-21(42)15-39;1-3-15-19(16-8-13(21)14(23)10-28(16)26-15)27(2)20-25-18(17(9-24)29-20)11-4-6-12(22)7-5-11/h4-7,12,16,21,42H,3,8-11,14-15,17-18H2,1-2H3;4-8,10H,3H2,1-2H3.
What are the key properties of 2-[(5-bromo-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-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
2-[(5-bromo-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-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 1093.05 g/mol, XLogP of 10.34, 9 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-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-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 157456526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).