2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-N,N-dimethylacetamide;2-[(2-ethyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methane

C55H63F2N15OS2 — CID 160558972

IUPAC2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-N,N-dimethylacetamide;2-[(2-ethyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methane
SMILESC.CCc1nn2c(C)cc(N3CCN(CC(=O)N(C)C)CC3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nn2c(C)cc(N3CCNCC3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C29H33FN8OS.C25H26FN7S.CH4/c1-6-23-28(35(5)29-32-27(25(17-31)40-29)20-7-9-21(30)10-8-20)24-16-22(15-19(2)38(24)33-23)37-13-11-36(12-14-37)18-26(39)34(3)4;1-4-20-24(21-14-19(13-16(2)33(21)30-20)32-11-9-28-10-12-32)31(3)25-29-23(22(15-27)34-25)17-5-7-18(26)8-6-17;/h7-10,15-16H,6,11-14,18H2,1-5H3;5-8,13-14,28H,4,9-12H2,1-3H3;1H4
InChIKeyQZBDKWASEZLCHY-UHFFFAOYSA-N
MW1052.34 g/mol
LogP9.47
Rot. Bonds12

About 2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-N,N-dimethylacetamide;2-[(2-ethyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methane

2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-N,N-dimethylacetamide;2-[(2-ethyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methane (PubChem CID 160558972) has the molecular formula C55H63F2N15OS2 and a molecular weight of 1052.34 g/mol. Its IUPAC name is 2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-N,N-dimethylacetamide;2-[(2-ethyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methane.

Molecular Properties

Compound Name2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-N,N-dimethylacetamide;2-[(2-ethyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methane
PubChem CID160558972
Molecular FormulaC55H63F2N15OS2
Molecular Weight1052.34 g/mol
Exact Mass1051.47
IUPAC Name2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-N,N-dimethylacetamide;2-[(2-ethyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methane
SMILESC.CCc1nn2c(C)cc(N3CCN(CC(=O)N(C)C)CC3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nn2c(C)cc(N3CCNCC3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C29H33FN8OS.C25H26FN7S.CH4/c1-6-23-28(35(5)29-32-27(25(17-31)40-29)20-7-9-21(30)10-8-20)24-16-22(15-19(2)38(24)33-23)37-13-11-36(12-14-37)18-26(39)34(3)4;1-4-20-24(21-14-19(13-16(2)33(21)30-20)32-11-9-28-10-12-32)31(3)25-29-23(22(15-27)34-25)17-5-7-18(26)8-6-17;/h7-10,15-16H,6,11-14,18H2,1-5H3;5-8,13-14,28H,4,9-12H2,1-3H3;1H4
InChIKeyQZBDKWASEZLCHY-UHFFFAOYSA-N
XLogP9.47
TPSA156.50 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001052.34
LogP ≤ 59.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Analyze 2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-N,N-dimethylacetamide;2-[(2-ethyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methane with MolForge

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Related Compounds

(S)-2-(1-(3-((5-cyano-4-(4-fluorophenyl) thiazol-2-yl)(methyl)amino)-2-ethylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-ylamino)-N,N-dimethylacetamide
CID 117764041
(R)-2-(1(3-((5-cyano-4-(4-fluorophenyl) thiazol-2-yl)(methyl)amino)-2-ethylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-ylamino)-N,N-dimethylacetamide
CID 117764557
2-[[1-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]amino]-N,N-dimethylacetamide
CID 117764042
2-[(2-Ethyl-7-methyl-5-piperazin-1-ylpyrazolo[4,3-b]pyridin-3-yl)-(2-fluoroethyl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 139423702
N-[3-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]-3-azabicyclo[3.1.0]hexan-6-yl]oxolane-3-carboxamide
CID 146267514
2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-N,N-dimethylacetamide
CID 146267592
2-[[2-Cyclopropyl-7-methyl-5-[4-(1-methylpyrrolidine-3-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 146267608
2-[[2-Ethyl-7-methyl-5-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 146267613
2-[[2-Ethyl-7-methyl-5-[4-(1-methylpiperidine-4-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 146267618
2-[[2-Ethyl-5-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 146267628
2-[(2-Ethyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 146267634
2-[[2-Ethyl-6-fluoro-5-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 146267645

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-N,N-dimethylacetamide;2-[(2-ethyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methane?
The IUPAC name of 2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-N,N-dimethylacetamide;2-[(2-ethyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methane (CID 160558972) is 2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-N,N-dimethylacetamide;2-[(2-ethyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methane.
What is the SMILES notation for 2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-N,N-dimethylacetamide;2-[(2-ethyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methane?
The canonical SMILES for 2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-N,N-dimethylacetamide;2-[(2-ethyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methane is C.CCc1nn2c(C)cc(N3CCN(CC(=O)N(C)C)CC3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nn2c(C)cc(N3CCNCC3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.
What is the InChIKey of 2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-N,N-dimethylacetamide;2-[(2-ethyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methane?
The InChIKey is QZBDKWASEZLCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33FN8OS.C25H26FN7S.CH4/c1-6-23-28(35(5)29-32-27(25(17-31)40-29)20-7-9-21(30)10-8-20)24-16-22(15-19(2)38(24)33-23)37-13-11-36(12-14-37)18-26(39)34(3)4;1-4-20-24(21-14-19(13-16(2)33(21)30-20)32-11-9-28-10-12-32)31(3)25-29-23(22(15-27)34-25)17-5-7-18(26)8-6-17;/h7-10,15-16H,6,11-14,18H2,1-5H3;5-8,13-14,28H,4,9-12H2,1-3H3;1H4.
What are the key properties of 2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-N,N-dimethylacetamide;2-[(2-ethyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methane?
2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-N,N-dimethylacetamide;2-[(2-ethyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methane has a molecular weight of 1052.34 g/mol, XLogP of 9.47, 12 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-N,N-dimethylacetamide;2-[(2-ethyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methane is sourced from PubChem (CID 160558972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).