2-[(5-bromo-2-cyclopropyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-6-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

C51H44BrF4N13O2S2 — CID 162153597

IUPAC2-[(5-bromo-2-cyclopropyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-6-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESCN(c1nc(-c2ccc(F)cc2)c(C#N)s1)c1c(C2CC2)nn2cc(F)c(Br)cc12.CN(c1nc(-c2ccc(F)cc2)c(C#N)s1)c1c(C2CC2)nn2cc(F)c(N3CCN(CC(=O)N4CC(O)C4)CC3)cc12
InChIInChI=1S/C30H30F2N8O2S.C21H14BrF2N5S/c1-36(30-34-27(25(13-33)43-30)18-4-6-20(31)7-5-18)29-24-12-23(22(32)16-40(24)35-28(29)19-2-3-19)38-10-8-37(9-11-38)17-26(42)39-14-21(41)15-39;1-28(21-26-18(17(9-25)30-21)11-4-6-13(23)7-5-11)20-16-8-14(22)15(24)10-29(16)27-19(20)12-2-3-12/h4-7,12,16,19,21,41H,2-3,8-11,14-15,17H2,1H3;4-8,10,12H,2-3H2,1H3
InChIKeyZLNOGHTWNJUOCE-UHFFFAOYSA-N
MW1091.03 g/mol
LogP9.59
Rot. Bonds11

About 2-[(5-bromo-2-cyclopropyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-6-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

2-[(5-bromo-2-cyclopropyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-6-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 162153597) has the molecular formula C51H44BrF4N13O2S2 and a molecular weight of 1091.03 g/mol. Its IUPAC name is 2-[(5-bromo-2-cyclopropyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-6-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-[(5-bromo-2-cyclopropyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-6-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
PubChem CID162153597
Molecular FormulaC51H44BrF4N13O2S2
Molecular Weight1091.03 g/mol
Exact Mass1089.23
IUPAC Name2-[(5-bromo-2-cyclopropyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-6-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESCN(c1nc(-c2ccc(F)cc2)c(C#N)s1)c1c(C2CC2)nn2cc(F)c(Br)cc12.CN(c1nc(-c2ccc(F)cc2)c(C#N)s1)c1c(C2CC2)nn2cc(F)c(N3CCN(CC(=O)N4CC(O)C4)CC3)cc12
InChIInChI=1S/C30H30F2N8O2S.C21H14BrF2N5S/c1-36(30-34-27(25(13-33)43-30)18-4-6-20(31)7-5-18)29-24-12-23(22(32)16-40(24)35-28(29)19-2-3-19)38-10-8-37(9-11-38)17-26(42)39-14-21(41)15-39;1-28(21-26-18(17(9-25)30-21)11-4-6-13(23)7-5-11)20-16-8-14(22)15(24)10-29(16)27-19(20)12-2-3-12/h4-7,12,16,19,21,41H,2-3,8-11,14-15,17H2,1H3;4-8,10,12H,2-3H2,1H3
InChIKeyZLNOGHTWNJUOCE-UHFFFAOYSA-N
XLogP9.59
TPSA161.46 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds11
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001091.03
LogP ≤ 59.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Analyze 2-[(5-bromo-2-cyclopropyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-6-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-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-((2-ethyl-5-(4-(2-(3-hydroxyazetidin-1-yl)-2-oxoethyl)piperazin-1-yl)-2H-pyrazolo[3,4-c]pyridin-3-yl)(methyl)amino)-4-(4-fluorophenyl)thiazole-5-carbonitrile
CID 139423718
2-[[2-Ethyl-5-[4-(3-hydroxyazetidine-1-carbonyl)piperidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 146267548
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-Cyclopropyl-6-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 146267588
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-[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-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
2-[[2-ethyl-5-[4-[2-[(3S)-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 146267604
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
2-[[2-Cyclopropyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 146267631

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-cyclopropyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-6-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-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-cyclopropyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-6-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (CID 162153597) is 2-[(5-bromo-2-cyclopropyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-6-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-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-cyclopropyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-6-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-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-cyclopropyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-6-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is CN(c1nc(-c2ccc(F)cc2)c(C#N)s1)c1c(C2CC2)nn2cc(F)c(Br)cc12.CN(c1nc(-c2ccc(F)cc2)c(C#N)s1)c1c(C2CC2)nn2cc(F)c(N3CCN(CC(=O)N4CC(O)C4)CC3)cc12.
What is the InChIKey of 2-[(5-bromo-2-cyclopropyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-6-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The InChIKey is ZLNOGHTWNJUOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F2N8O2S.C21H14BrF2N5S/c1-36(30-34-27(25(13-33)43-30)18-4-6-20(31)7-5-18)29-24-12-23(22(32)16-40(24)35-28(29)19-2-3-19)38-10-8-37(9-11-38)17-26(42)39-14-21(41)15-39;1-28(21-26-18(17(9-25)30-21)11-4-6-13(23)7-5-11)20-16-8-14(22)15(24)10-29(16)27-19(20)12-2-3-12/h4-7,12,16,19,21,41H,2-3,8-11,14-15,17H2,1H3;4-8,10,12H,2-3H2,1H3.
What are the key properties of 2-[(5-bromo-2-cyclopropyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-6-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
2-[(5-bromo-2-cyclopropyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-6-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 1091.03 g/mol, XLogP of 9.59, 11 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-cyclopropyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-cyclopropyl-6-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 162153597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).