N,N-diethyl-3-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]aniline;4-(3,5-dihexylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;4-(3,5-dihexylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine;4-(3-hexylsulfanylphenyl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine

C89H104F12N14S3 — CID 158605585

IUPACN,N-diethyl-3-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]aniline;4-(3,5-dihexylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;4-(3,5-dihexylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine;4-(3-hexylsulfanylphenyl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
SMILESCCCCCCSc1cccc(-c2ccnc(-c3cc(C(F)(F)F)[nH]n3)c2)c1.CCCCCCc1cc(CCCCCC)c(-c2ccnc(-c3cc(C(F)(F)F)[nH]n3)c2)s1.CCCCCCc1cc(CCCCCC)c(-c2ccnc(-c3n[nH]c(C(F)(F)F)n3)c2)s1.CCN(CC)c1cccc(-c2ccnc(-c3cc(C(F)(F)F)[nH]n3)c2)c1
InChIInChI=1S/C25H32F3N3S.C24H31F3N4S.C21H22F3N3S.C19H19F3N4/c1-3-5-7-9-11-18-15-20(12-10-8-6-4-2)32-24(18)19-13-14-29-21(16-19)22-17-23(31-30-22)25(26,27)28;1-3-5-7-9-11-17-15-19(12-10-8-6-4-2)32-21(17)18-13-14-28-20(16-18)22-29-23(31-30-22)24(25,26)27;1-2-3-4-5-11-28-17-8-6-7-15(12-17)16-9-10-25-18(13-16)19-14-20(27-26-19)21(22,23)24;1-3-26(4-2)15-7-5-6-13(10-15)14-8-9-23-16(11-14)17-12-18(25-24-17)19(20,21)22/h13-17H,3-12H2,1-2H3,(H,30,31);13-16H,3-12H2,1-2H3,(H,29,30,31);6-10,12-14H,2-5,11H2,1H3,(H,26,27);5-12H,3-4H2,1-2H3,(H,24,25)
InChIKeyHWEHRUQQZUJJEJ-UHFFFAOYSA-N
MW1694.09 g/mol
LogP28.16
Rot. Bonds37

About N,N-diethyl-3-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]aniline;4-(3,5-dihexylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;4-(3,5-dihexylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine;4-(3-hexylsulfanylphenyl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine

N,N-diethyl-3-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]aniline;4-(3,5-dihexylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;4-(3,5-dihexylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine;4-(3-hexylsulfanylphenyl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine (PubChem CID 158605585) has the molecular formula C89H104F12N14S3 and a molecular weight of 1694.09 g/mol. Its IUPAC name is N,N-diethyl-3-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]aniline;4-(3,5-dihexylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;4-(3,5-dihexylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine;4-(3-hexylsulfanylphenyl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine.

Molecular Properties

Compound NameN,N-diethyl-3-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]aniline;4-(3,5-dihexylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;4-(3,5-dihexylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine;4-(3-hexylsulfanylphenyl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
PubChem CID158605585
Molecular FormulaC89H104F12N14S3
Molecular Weight1694.09 g/mol
Exact Mass1692.75
IUPAC NameN,N-diethyl-3-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]aniline;4-(3,5-dihexylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;4-(3,5-dihexylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine;4-(3-hexylsulfanylphenyl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
SMILESCCCCCCSc1cccc(-c2ccnc(-c3cc(C(F)(F)F)[nH]n3)c2)c1.CCCCCCc1cc(CCCCCC)c(-c2ccnc(-c3cc(C(F)(F)F)[nH]n3)c2)s1.CCCCCCc1cc(CCCCCC)c(-c2ccnc(-c3n[nH]c(C(F)(F)F)n3)c2)s1.CCN(CC)c1cccc(-c2ccnc(-c3cc(C(F)(F)F)[nH]n3)c2)c1
InChIInChI=1S/C25H32F3N3S.C24H31F3N4S.C21H22F3N3S.C19H19F3N4/c1-3-5-7-9-11-18-15-20(12-10-8-6-4-2)32-24(18)19-13-14-29-21(16-19)22-17-23(31-30-22)25(26,27)28;1-3-5-7-9-11-17-15-19(12-10-8-6-4-2)32-21(17)18-13-14-28-20(16-18)22-29-23(31-30-22)24(25,26)27;1-2-3-4-5-11-28-17-8-6-7-15(12-17)16-9-10-25-18(13-16)19-14-20(27-26-19)21(22,23)24;1-3-26(4-2)15-7-5-6-13(10-15)14-8-9-23-16(11-14)17-12-18(25-24-17)19(20,21)22/h13-17H,3-12H2,1-2H3,(H,30,31);13-16H,3-12H2,1-2H3,(H,29,30,31);6-10,12-14H,2-5,11H2,1H3,(H,26,27);5-12H,3-4H2,1-2H3,(H,24,25)
InChIKeyHWEHRUQQZUJJEJ-UHFFFAOYSA-N
XLogP28.16
TPSA182.41 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds37
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001694.09
LogP ≤ 528.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N,N-diethyl-3-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]aniline;4-(3,5-dihexylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;4-(3,5-dihexylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine;4-(3-hexylsulfanylphenyl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[3,5-bis(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]-1-N'-[3-[3-(dimethylamino)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]-1-N,1-N-dimethyl-1-N'-(thiophen-2-ylmethyl)ethane-1,1,2-triamine
CID 91038598
2-[4-[2-[[3-[7-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]pyrazol-1-yl]methyl]-4-ethyl-5-(1-methylpyrazol-3-yl)-4H-[1,2,4]triazolo[4,3-f]pteridin-10-ium-7-yl]-1-methylpyrazol-3-yl]-1,3-thiazole
CID 123481644
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine
CID 136495667
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine
CID 136495733
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine
CID 136495783
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine
CID 136943624
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine
CID 136943723
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-4-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 136944053
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-4-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 136944106
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine
CID 136944958
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine
CID 136945037
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-4-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 136945364

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]aniline;4-(3,5-dihexylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;4-(3,5-dihexylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine;4-(3-hexylsulfanylphenyl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The IUPAC name of N,N-diethyl-3-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]aniline;4-(3,5-dihexylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;4-(3,5-dihexylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine;4-(3-hexylsulfanylphenyl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine (CID 158605585) is N,N-diethyl-3-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]aniline;4-(3,5-dihexylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;4-(3,5-dihexylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine;4-(3-hexylsulfanylphenyl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine.
What is the SMILES notation for N,N-diethyl-3-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]aniline;4-(3,5-dihexylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;4-(3,5-dihexylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine;4-(3-hexylsulfanylphenyl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The canonical SMILES for N,N-diethyl-3-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]aniline;4-(3,5-dihexylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;4-(3,5-dihexylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine;4-(3-hexylsulfanylphenyl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine is CCCCCCSc1cccc(-c2ccnc(-c3cc(C(F)(F)F)[nH]n3)c2)c1.CCCCCCc1cc(CCCCCC)c(-c2ccnc(-c3cc(C(F)(F)F)[nH]n3)c2)s1.CCCCCCc1cc(CCCCCC)c(-c2ccnc(-c3n[nH]c(C(F)(F)F)n3)c2)s1.CCN(CC)c1cccc(-c2ccnc(-c3cc(C(F)(F)F)[nH]n3)c2)c1.
What is the InChIKey of N,N-diethyl-3-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]aniline;4-(3,5-dihexylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;4-(3,5-dihexylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine;4-(3-hexylsulfanylphenyl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The InChIKey is HWEHRUQQZUJJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F3N3S.C24H31F3N4S.C21H22F3N3S.C19H19F3N4/c1-3-5-7-9-11-18-15-20(12-10-8-6-4-2)32-24(18)19-13-14-29-21(16-19)22-17-23(31-30-22)25(26,27)28;1-3-5-7-9-11-17-15-19(12-10-8-6-4-2)32-21(17)18-13-14-28-20(16-18)22-29-23(31-30-22)24(25,26)27;1-2-3-4-5-11-28-17-8-6-7-15(12-17)16-9-10-25-18(13-16)19-14-20(27-26-19)21(22,23)24;1-3-26(4-2)15-7-5-6-13(10-15)14-8-9-23-16(11-14)17-12-18(25-24-17)19(20,21)22/h13-17H,3-12H2,1-2H3,(H,30,31);13-16H,3-12H2,1-2H3,(H,29,30,31);6-10,12-14H,2-5,11H2,1H3,(H,26,27);5-12H,3-4H2,1-2H3,(H,24,25).
What are the key properties of N,N-diethyl-3-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]aniline;4-(3,5-dihexylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;4-(3,5-dihexylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine;4-(3-hexylsulfanylphenyl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
N,N-diethyl-3-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]aniline;4-(3,5-dihexylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;4-(3,5-dihexylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine;4-(3-hexylsulfanylphenyl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine has a molecular weight of 1694.09 g/mol, XLogP of 28.16, 37 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]aniline;4-(3,5-dihexylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;4-(3,5-dihexylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine;4-(3-hexylsulfanylphenyl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine is sourced from PubChem (CID 158605585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).