N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methylsulfinylpropanamide;N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methylsulfonylpropanamide

C56H44F6N14O5S2 — CID 159942365

IUPACN-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methylsulfinylpropanamide;N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methylsulfonylpropanamide
SMILESCc1c(-c2ccnn2-c2ccc(C#N)cc2)cn2nc(NC(=O)CCS(C)(=O)=O)nc2c1-c1cccc(C(F)(F)F)c1.Cc1c(-c2ccnn2-c2ccc(C#N)cc2)cn2nc(NC(=O)CCS(C)=O)nc2c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C28H22F3N7O3S.C28H22F3N7O2S/c1-17-22(23-10-12-33-38(23)21-8-6-18(15-32)7-9-21)16-37-26(25(17)19-4-3-5-20(14-19)28(29,30)31)35-27(36-37)34-24(39)11-13-42(2,40)41;1-17-22(23-10-12-33-38(23)21-8-6-18(15-32)7-9-21)16-37-26(35-27(36-37)34-24(39)11-13-41(2)40)25(17)19-4-3-5-20(14-19)28(29,30)31/h3-10,12,14,16H,11,13H2,1-2H3,(H,34,36,39);3-10,12,14,16H,11,13H2,1-2H3,(H,34,36,39)
InChIKeyOBAUEQQMVDQMDF-UHFFFAOYSA-N
MW1171.18 g/mol
LogP9.98
Rot. Bonds14

About N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methylsulfinylpropanamide;N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methylsulfonylpropanamide

N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methylsulfinylpropanamide;N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methylsulfonylpropanamide (PubChem CID 159942365) has the molecular formula C56H44F6N14O5S2 and a molecular weight of 1171.18 g/mol. Its IUPAC name is N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methylsulfinylpropanamide;N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methylsulfinylpropanamide;N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methylsulfonylpropanamide
PubChem CID159942365
Molecular FormulaC56H44F6N14O5S2
Molecular Weight1171.18 g/mol
Exact Mass1170.30
IUPAC NameN-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methylsulfinylpropanamide;N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methylsulfonylpropanamide
SMILESCc1c(-c2ccnn2-c2ccc(C#N)cc2)cn2nc(NC(=O)CCS(C)(=O)=O)nc2c1-c1cccc(C(F)(F)F)c1.Cc1c(-c2ccnn2-c2ccc(C#N)cc2)cn2nc(NC(=O)CCS(C)=O)nc2c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C28H22F3N7O3S.C28H22F3N7O2S/c1-17-22(23-10-12-33-38(23)21-8-6-18(15-32)7-9-21)16-37-26(25(17)19-4-3-5-20(14-19)28(29,30)31)35-27(36-37)34-24(39)11-13-42(2,40)41;1-17-22(23-10-12-33-38(23)21-8-6-18(15-32)7-9-21)16-37-26(35-27(36-37)34-24(39)11-13-41(2)40)25(17)19-4-3-5-20(14-19)28(29,30)31/h3-10,12,14,16H,11,13H2,1-2H3,(H,34,36,39);3-10,12,14,16H,11,13H2,1-2H3,(H,34,36,39)
InChIKeyOBAUEQQMVDQMDF-UHFFFAOYSA-N
XLogP9.98
TPSA253.01 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds14
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001171.18
LogP ≤ 59.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Analyze N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methylsulfinylpropanamide;N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methylsulfonylpropanamide with MolForge

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Related Compounds

1-[4-[1-Methyl-6-(methylsulfonylmethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[4-(trifluoromethyl)pyridin-2-yl]urea
CID 24798447
4-{5-[2-(4-Methanesulfonyl-phenylamino)-7-methyl-8-(3-trifluoromethyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-pyrazol-1-yl}-benzonitrile
CID 73051128
N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-(4,4-dimethylpiperazin-4-ium-1-yl)acetamide
CID 73051586
N-[6-[1-(4-Cyano-phenyl)-1H-pyrazol-5-yl]-7-methyl-8-(3-trifluoromethyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-(1,1-dioxothiomorpholin-4-yl)-acetamide
CID 73051588
N-[6-[2-(4-Cyano-phenyl)-2H-pyrazol-3-yl]-7-methyl-8-(3-trifluoromethyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-4-methanesulfonyl-benzamide
CID 73051753
4-[5-[7-Methyl-2-[(4-methylsulfonylphenyl)methylamino]-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]benzonitrile
CID 73051754
N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-(1,4-dimethylpiperazin-1-ium-1-yl)acetamide
CID 73052078
{3-[6-[2-(4-Cyano-phenyl)-2H-pyrazol-3-yl]-7-methyl-8-(3-trifluoromethyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-ylamino]-propyl}-trimethyl-ammonium benzenesulfonate
CID 73052080
N-[6-[2-(4-Cyano-2-fluoro-phenyl)-2H-pyrazol-3-yl]-7-methyl-8-(3-trifluoromethyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-acetamide
CID 73052395
N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methylsulfinylpropanamide
CID 73052549
N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methylsulfonylpropanamide
CID 73052550
4-[5-[7-Methyl-2-(3-methylsulfonylpropylamino)-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]benzonitrile
CID 73052551

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methylsulfinylpropanamide;N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methylsulfonylpropanamide?
The IUPAC name of N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methylsulfinylpropanamide;N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methylsulfonylpropanamide (CID 159942365) is N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methylsulfinylpropanamide;N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methylsulfonylpropanamide.
What is the SMILES notation for N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methylsulfinylpropanamide;N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methylsulfonylpropanamide?
The canonical SMILES for N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methylsulfinylpropanamide;N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methylsulfonylpropanamide is Cc1c(-c2ccnn2-c2ccc(C#N)cc2)cn2nc(NC(=O)CCS(C)(=O)=O)nc2c1-c1cccc(C(F)(F)F)c1.Cc1c(-c2ccnn2-c2ccc(C#N)cc2)cn2nc(NC(=O)CCS(C)=O)nc2c1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methylsulfinylpropanamide;N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methylsulfonylpropanamide?
The InChIKey is OBAUEQQMVDQMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22F3N7O3S.C28H22F3N7O2S/c1-17-22(23-10-12-33-38(23)21-8-6-18(15-32)7-9-21)16-37-26(25(17)19-4-3-5-20(14-19)28(29,30)31)35-27(36-37)34-24(39)11-13-42(2,40)41;1-17-22(23-10-12-33-38(23)21-8-6-18(15-32)7-9-21)16-37-26(35-27(36-37)34-24(39)11-13-41(2)40)25(17)19-4-3-5-20(14-19)28(29,30)31/h3-10,12,14,16H,11,13H2,1-2H3,(H,34,36,39);3-10,12,14,16H,11,13H2,1-2H3,(H,34,36,39).
What are the key properties of N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methylsulfinylpropanamide;N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methylsulfonylpropanamide?
N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methylsulfinylpropanamide;N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methylsulfonylpropanamide has a molecular weight of 1171.18 g/mol, XLogP of 9.98, 14 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methylsulfinylpropanamide;N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methylsulfonylpropanamide is sourced from PubChem (CID 159942365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).