2-[[6-fluoro-2-(1,1,2,2,2-pentadeuterioethyl)-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl]-(trideuteriomethyl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

C24H23F2N7S — CID 163289213

IUPAC2-[[6-fluoro-2-(1,1,2,2,2-pentadeuterioethyl)-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl]-(trideuteriomethyl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILES[2H]C([2H])([2H])N(c1nc(-c2ccc(F)cc2)c(C#N)s1)c1c(C([2H])([2H])C([2H])([2H])[2H])nn2cc(F)c(N3CCNCC3)cc12
InChIInChI=1S/C24H23F2N7S/c1-3-18-23(20-12-19(17(26)14-33(20)30-18)32-10-8-28-9-11-32)31(2)24-29-22(21(13-27)34-24)15-4-6-16(25)7-5-15/h4-7,12,14,28H,3,8-11H2,1-2H3/i1D3,2D3,3D2
InChIKeyNKPAINVPDVDOAL-AUOAYUKBSA-N
MW487.61 g/mol
LogP4.35
Rot. Bonds7

About 2-[[6-fluoro-2-(1,1,2,2,2-pentadeuterioethyl)-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl]-(trideuteriomethyl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

2-[[6-fluoro-2-(1,1,2,2,2-pentadeuterioethyl)-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl]-(trideuteriomethyl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 163289213) has the molecular formula C24H23F2N7S and a molecular weight of 487.61 g/mol. Its IUPAC name is 2-[[6-fluoro-2-(1,1,2,2,2-pentadeuterioethyl)-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl]-(trideuteriomethyl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-[[6-fluoro-2-(1,1,2,2,2-pentadeuterioethyl)-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl]-(trideuteriomethyl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
PubChem CID163289213
Molecular FormulaC24H23F2N7S
Molecular Weight487.61 g/mol
Exact Mass487.22
IUPAC Name2-[[6-fluoro-2-(1,1,2,2,2-pentadeuterioethyl)-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl]-(trideuteriomethyl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILES[2H]C([2H])([2H])N(c1nc(-c2ccc(F)cc2)c(C#N)s1)c1c(C([2H])([2H])C([2H])([2H])[2H])nn2cc(F)c(N3CCNCC3)cc12
InChIInChI=1S/C24H23F2N7S/c1-3-18-23(20-12-19(17(26)14-33(20)30-18)32-10-8-28-9-11-32)31(2)24-29-22(21(13-27)34-24)15-4-6-16(25)7-5-15/h4-7,12,14,28H,3,8-11H2,1-2H3/i1D3,2D3,3D2
InChIKeyNKPAINVPDVDOAL-AUOAYUKBSA-N
XLogP4.35
TPSA72.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.61
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[[6-fluoro-2-(1,1,2,2,2-pentadeuterioethyl)-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl]-(trideuteriomethyl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile with MolForge

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Related Compounds

4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-5-yl]piperazine-1-carboxylic acid
CID 175436437
2-[[5-[4-[1,1-dideuterio-2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 163289198
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;2,2,2-trifluoroacetic acid
CID 175896901
2-[[2-cyclopropyl-5-[4-(2,3-dihydroxypropanoyl)piperazin-1-yl]-6-fluoropyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 146267714
2-[[2-cyclopropyl-6-fluoro-5-[4-(morpholine-4-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 146267704
tert-butyl 6-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-6-methylpyrazolo[1,5-a]pyridin-5-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 150457199
4-(4-fluorophenyl)-2-[[2-(2-hydroxyethyl)-1-oxo-6-piperazin-1-ylisoquinolin-4-yl]-methylamino]-1,3-thiazole-5-carbonitrile;hydrochloride
CID 175196889
ethyl 2-[4-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-1-oxo-6-piperazin-1-ylisoquinolin-2-yl]acetate
CID 155378113
2-[[5-[4-(2-cyclopropyl-2-oxoethyl)piperazin-1-yl]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 146267742
2-ethyl-7-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-amine;2-[(2-ethyl-7-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 157412961
2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-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 152521891
deuterio(fluoro)methane;2-[[2-ethyl-6-[6-[4-(1-methylazetidine-3-carbonyl)piperazin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1-methylazetidine-3-carboxylic acid
CID 165094049

Frequently Asked Questions

What is the IUPAC name of 2-[[6-fluoro-2-(1,1,2,2,2-pentadeuterioethyl)-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl]-(trideuteriomethyl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-[[6-fluoro-2-(1,1,2,2,2-pentadeuterioethyl)-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl]-(trideuteriomethyl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (CID 163289213) is 2-[[6-fluoro-2-(1,1,2,2,2-pentadeuterioethyl)-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl]-(trideuteriomethyl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-[[6-fluoro-2-(1,1,2,2,2-pentadeuterioethyl)-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl]-(trideuteriomethyl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-[[6-fluoro-2-(1,1,2,2,2-pentadeuterioethyl)-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl]-(trideuteriomethyl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is [2H]C([2H])([2H])N(c1nc(-c2ccc(F)cc2)c(C#N)s1)c1c(C([2H])([2H])C([2H])([2H])[2H])nn2cc(F)c(N3CCNCC3)cc12.
What is the InChIKey of 2-[[6-fluoro-2-(1,1,2,2,2-pentadeuterioethyl)-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl]-(trideuteriomethyl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The InChIKey is NKPAINVPDVDOAL-AUOAYUKBSA-N. The full InChI is InChI=1S/C24H23F2N7S/c1-3-18-23(20-12-19(17(26)14-33(20)30-18)32-10-8-28-9-11-32)31(2)24-29-22(21(13-27)34-24)15-4-6-16(25)7-5-15/h4-7,12,14,28H,3,8-11H2,1-2H3/i1D3,2D3,3D2.
What are the key properties of 2-[[6-fluoro-2-(1,1,2,2,2-pentadeuterioethyl)-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl]-(trideuteriomethyl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
2-[[6-fluoro-2-(1,1,2,2,2-pentadeuterioethyl)-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl]-(trideuteriomethyl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 487.61 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-fluoro-2-(1,1,2,2,2-pentadeuterioethyl)-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl]-(trideuteriomethyl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 163289213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).