(3Z)-6-[3-(5-phenyl-1H-1,2,4-triazol-3-yl)anilino]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[[2-[3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]amino]-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[3-[2-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]anilino]-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[3-[5-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]anilino]-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[3-[5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]anilino]-1H-indol-2-one

C139H96F12N28O5 — CID 159339347

IUPAC(3Z)-6-[3-(5-phenyl-1H-1,2,4-triazol-3-yl)anilino]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[[2-[3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]amino]-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[3-[2-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]anilino]-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[3-[5-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]anilino]-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[3-[5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]anilino]-1H-indol-2-one
SMILESO=C1Nc2cc(Nc3ccc4nc(-c5cccc(C(F)(F)F)c5)[nH]c4c3)ccc2/C1=C/c1ccc[nH]1.O=C1Nc2cc(Nc3cccc(-c4cnc(-c5cccc(C(F)(F)F)c5)[nH]4)c3)ccc2/C1=C/c1ccc[nH]1.O=C1Nc2cc(Nc3cccc(-c4n[nH]c(-c5ccc(C(F)(F)F)cc5)n4)c3)ccc2/C1=C/c1ccc[nH]1.O=C1Nc2cc(Nc3cccc(-c4n[nH]c(-c5ccccc5)n4)c3)ccc2/C1=C/c1ccc[nH]1.O=C1Nc2cc(Nc3cccc(-c4n[nH]c(-c5ccccc5C(F)(F)F)n4)c3)ccc2/C1=C/c1ccc[nH]1
InChIInChI=1S/C29H20F3N5O.2C28H19F3N6O.C27H18F3N5O.C27H20N6O/c30-29(31,32)19-6-1-5-18(12-19)27-34-16-26(36-27)17-4-2-7-21(13-17)35-22-9-10-23-24(14-20-8-3-11-33-20)28(38)37-25(23)15-22;29-28(30,31)18-8-6-16(7-9-18)25-35-26(37-36-25)17-3-1-4-20(13-17)33-21-10-11-22-23(14-19-5-2-12-32-19)27(38)34-24(22)15-21;29-28(30,31)23-9-2-1-8-21(23)26-35-25(36-37-26)16-5-3-6-18(13-16)33-19-10-11-20-22(14-17-7-4-12-32-17)27(38)34-24(20)15-19;28-27(29,30)16-4-1-3-15(11-16)25-33-22-9-7-19(14-24(22)34-25)32-18-6-8-20-21(12-17-5-2-10-31-17)26(36)35-23(20)13-18;34-27-23(15-19-10-5-13-28-19)22-12-11-21(16-24(22)30-27)29-20-9-4-8-18(14-20)26-31-25(32-33-26)17-6-2-1-3-7-17/h1-16,33,35H,(H,34,36)(H,37,38);2*1-15,32-33H,(H,34,38)(H,35,36,37);1-14,31-32H,(H,33,34)(H,35,36);1-16,28-29H,(H,30,34)(H,31,32,33)/b24-14-;23-14-;22-14-;21-12-;23-15-
InChIKeyLFYDYMDYZQGMCE-HBJPRRIZSA-N
MW2466.46 g/mol
LogP33.29
Rot. Bonds24

About (3Z)-6-[3-(5-phenyl-1H-1,2,4-triazol-3-yl)anilino]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[[2-[3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]amino]-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[3-[2-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]anilino]-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[3-[5-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]anilino]-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[3-[5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]anilino]-1H-indol-2-one

(3Z)-6-[3-(5-phenyl-1H-1,2,4-triazol-3-yl)anilino]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[[2-[3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]amino]-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[3-[2-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]anilino]-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[3-[5-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]anilino]-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[3-[5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]anilino]-1H-indol-2-one (PubChem CID 159339347) has the molecular formula C139H96F12N28O5 and a molecular weight of 2466.46 g/mol. Its IUPAC name is (3Z)-6-[3-(5-phenyl-1H-1,2,4-triazol-3-yl)anilino]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[[2-[3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]amino]-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[3-[2-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]anilino]-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[3-[5-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]anilino]-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[3-[5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]anilino]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-6-[3-(5-phenyl-1H-1,2,4-triazol-3-yl)anilino]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[[2-[3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]amino]-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[3-[2-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]anilino]-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[3-[5-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]anilino]-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[3-[5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]anilino]-1H-indol-2-one
PubChem CID159339347
Molecular FormulaC139H96F12N28O5
Molecular Weight2466.46 g/mol
Exact Mass2464.79
IUPAC Name(3Z)-6-[3-(5-phenyl-1H-1,2,4-triazol-3-yl)anilino]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[[2-[3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]amino]-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[3-[2-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]anilino]-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[3-[5-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]anilino]-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[3-[5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]anilino]-1H-indol-2-one
SMILESO=C1Nc2cc(Nc3ccc4nc(-c5cccc(C(F)(F)F)c5)[nH]c4c3)ccc2/C1=C/c1ccc[nH]1.O=C1Nc2cc(Nc3cccc(-c4cnc(-c5cccc(C(F)(F)F)c5)[nH]4)c3)ccc2/C1=C/c1ccc[nH]1.O=C1Nc2cc(Nc3cccc(-c4n[nH]c(-c5ccc(C(F)(F)F)cc5)n4)c3)ccc2/C1=C/c1ccc[nH]1.O=C1Nc2cc(Nc3cccc(-c4n[nH]c(-c5ccccc5)n4)c3)ccc2/C1=C/c1ccc[nH]1.O=C1Nc2cc(Nc3cccc(-c4n[nH]c(-c5ccccc5C(F)(F)F)n4)c3)ccc2/C1=C/c1ccc[nH]1
InChIInChI=1S/C29H20F3N5O.2C28H19F3N6O.C27H18F3N5O.C27H20N6O/c30-29(31,32)19-6-1-5-18(12-19)27-34-16-26(36-27)17-4-2-7-21(13-17)35-22-9-10-23-24(14-20-8-3-11-33-20)28(38)37-25(23)15-22;29-28(30,31)18-8-6-16(7-9-18)25-35-26(37-36-25)17-3-1-4-20(13-17)33-21-10-11-22-23(14-19-5-2-12-32-19)27(38)34-24(22)15-21;29-28(30,31)23-9-2-1-8-21(23)26-35-25(36-37-26)16-5-3-6-18(13-16)33-19-10-11-20-22(14-17-7-4-12-32-17)27(38)34-24(20)15-19;28-27(29,30)16-4-1-3-15(11-16)25-33-22-9-7-19(14-24(22)34-25)32-18-6-8-20-21(12-17-5-2-10-31-17)26(36)35-23(20)13-18;34-27-23(15-19-10-5-13-28-19)22-12-11-21(16-24(22)30-27)29-20-9-4-8-18(14-20)26-31-25(32-33-26)17-6-2-1-3-7-17/h1-16,33,35H,(H,34,36)(H,37,38);2*1-15,32-33H,(H,34,38)(H,35,36,37);1-14,31-32H,(H,33,34)(H,35,36);1-16,28-29H,(H,30,34)(H,31,32,33)/b24-14-;23-14-;22-14-;21-12-;23-15-
InChIKeyLFYDYMDYZQGMCE-HBJPRRIZSA-N
XLogP33.29
TPSA466.67 Ų
H-Bond Donors20
H-Bond Acceptors18
Rotatable Bonds24
Heavy Atoms184
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002466.46
LogP ≤ 533.29
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (3Z)-6-[3-(5-phenyl-1H-1,2,4-triazol-3-yl)anilino]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[[2-[3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]amino]-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[3-[2-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]anilino]-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[3-[5-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]anilino]-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[3-[5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]anilino]-1H-indol-2-one with MolForge

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Launch Full Analysis

Related Compounds

(3Z)-6-[2-methyl-5-[3-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]anilino]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
CID 25064698
(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[[2-[3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]amino]-1H-indol-2-one
CID 25064898
3-(1H-pyrrol-2-ylmethylidene)-6-[[2-[3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]amino]-1H-indol-2-one
CID 90845210
6-[2-methyl-5-[3-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]anilino]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
CID 91428349
7-[1-(4,4-difluorocyclohexyl)benzimidazol-5-yl]-5-[2-(dimethylamino)ethyl-methylamino]-3H-benzimidazole-4-carboxamide;7-[1-(2,2-difluoroethyl)benzimidazol-5-yl]-5-[2-(dimethylamino)ethyl-methylamino]-3H-benzimidazole-4-carboxamide
CID 118338760
N-[5-[7-[5-fluoro-2-[2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-benzimidazol-4-yl]phenyl]-3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide
CID 137297525
N-[5-[3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-7-[2-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-benzimidazol-4-yl]phenyl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 144667648
N-[5-[6-fluoro-7-[2-fluoro-5-[2-[6-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 145034805
4-acetyl-3-[5-fluoro-2-[(E)-3-[4-(1-hydroxy-6-pyrazol-1-ylbenzimidazol-2-yl)anilino]-3-oxoprop-1-enyl]phenyl]-N-[4-(1-hydroxy-6-pyrazol-1-ylbenzimidazol-2-yl)phenyl]benzamide
CID 145543976
N-[5-[7-(3-fluorophenyl)-4-[2-[2-[[5-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]amino]-2-oxoethyl]cyclopropyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]prop-2-enamide
CID 155010089
4-[5-[[4-ethenyl-1-[[5-[[2-methyl-5-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1,2,4-triazol-3-yl]amino]-2H-indazol-3-yl]methyl]indazol-5-yl]amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide
CID 156060883
4-[5-[[4-[2-[4-cyclopropyl-5-[[5-[4-[1-(ethylamino)-2,2,2-trifluoroethyl]phenyl]-2-methyl-1,2,4-triazol-3-yl]amino]-1H-indazol-7-yl]cyclopropyl]-7-[2-[5-[[5-[4-[1-(ethylamino)-2,2-difluoroethyl]phenyl]-2-methyl-1,2,4-triazol-3-yl]amino]-1H-indazol-4-yl]cyclopropyl]-1H-indazol-5-yl]amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-fluorobenzamide
CID 156060993

Frequently Asked Questions

What is the IUPAC name of (3Z)-6-[3-(5-phenyl-1H-1,2,4-triazol-3-yl)anilino]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[[2-[3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]amino]-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[3-[2-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]anilino]-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[3-[5-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]anilino]-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[3-[5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]anilino]-1H-indol-2-one?
The IUPAC name of (3Z)-6-[3-(5-phenyl-1H-1,2,4-triazol-3-yl)anilino]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[[2-[3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]amino]-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[3-[2-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]anilino]-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[3-[5-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]anilino]-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[3-[5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]anilino]-1H-indol-2-one (CID 159339347) is (3Z)-6-[3-(5-phenyl-1H-1,2,4-triazol-3-yl)anilino]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[[2-[3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]amino]-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[3-[2-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]anilino]-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[3-[5-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]anilino]-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[3-[5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]anilino]-1H-indol-2-one.
What is the SMILES notation for (3Z)-6-[3-(5-phenyl-1H-1,2,4-triazol-3-yl)anilino]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[[2-[3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]amino]-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[3-[2-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]anilino]-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[3-[5-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]anilino]-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[3-[5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]anilino]-1H-indol-2-one?
The canonical SMILES for (3Z)-6-[3-(5-phenyl-1H-1,2,4-triazol-3-yl)anilino]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[[2-[3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]amino]-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[3-[2-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]anilino]-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[3-[5-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]anilino]-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[3-[5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]anilino]-1H-indol-2-one is O=C1Nc2cc(Nc3ccc4nc(-c5cccc(C(F)(F)F)c5)[nH]c4c3)ccc2/C1=C/c1ccc[nH]1.O=C1Nc2cc(Nc3cccc(-c4cnc(-c5cccc(C(F)(F)F)c5)[nH]4)c3)ccc2/C1=C/c1ccc[nH]1.O=C1Nc2cc(Nc3cccc(-c4n[nH]c(-c5ccc(C(F)(F)F)cc5)n4)c3)ccc2/C1=C/c1ccc[nH]1.O=C1Nc2cc(Nc3cccc(-c4n[nH]c(-c5ccccc5)n4)c3)ccc2/C1=C/c1ccc[nH]1.O=C1Nc2cc(Nc3cccc(-c4n[nH]c(-c5ccccc5C(F)(F)F)n4)c3)ccc2/C1=C/c1ccc[nH]1.
What is the InChIKey of (3Z)-6-[3-(5-phenyl-1H-1,2,4-triazol-3-yl)anilino]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[[2-[3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]amino]-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[3-[2-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]anilino]-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[3-[5-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]anilino]-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[3-[5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]anilino]-1H-indol-2-one?
The InChIKey is LFYDYMDYZQGMCE-HBJPRRIZSA-N. The full InChI is InChI=1S/C29H20F3N5O.2C28H19F3N6O.C27H18F3N5O.C27H20N6O/c30-29(31,32)19-6-1-5-18(12-19)27-34-16-26(36-27)17-4-2-7-21(13-17)35-22-9-10-23-24(14-20-8-3-11-33-20)28(38)37-25(23)15-22;29-28(30,31)18-8-6-16(7-9-18)25-35-26(37-36-25)17-3-1-4-20(13-17)33-21-10-11-22-23(14-19-5-2-12-32-19)27(38)34-24(22)15-21;29-28(30,31)23-9-2-1-8-21(23)26-35-25(36-37-26)16-5-3-6-18(13-16)33-19-10-11-20-22(14-17-7-4-12-32-17)27(38)34-24(20)15-19;28-27(29,30)16-4-1-3-15(11-16)25-33-22-9-7-19(14-24(22)34-25)32-18-6-8-20-21(12-17-5-2-10-31-17)26(36)35-23(20)13-18;34-27-23(15-19-10-5-13-28-19)22-12-11-21(16-24(22)30-27)29-20-9-4-8-18(14-20)26-31-25(32-33-26)17-6-2-1-3-7-17/h1-16,33,35H,(H,34,36)(H,37,38);2*1-15,32-33H,(H,34,38)(H,35,36,37);1-14,31-32H,(H,33,34)(H,35,36);1-16,28-29H,(H,30,34)(H,31,32,33)/b24-14-;23-14-;22-14-;21-12-;23-15-.
What are the key properties of (3Z)-6-[3-(5-phenyl-1H-1,2,4-triazol-3-yl)anilino]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[[2-[3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]amino]-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[3-[2-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]anilino]-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[3-[5-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]anilino]-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[3-[5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]anilino]-1H-indol-2-one?
(3Z)-6-[3-(5-phenyl-1H-1,2,4-triazol-3-yl)anilino]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[[2-[3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]amino]-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[3-[2-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]anilino]-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[3-[5-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]anilino]-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[3-[5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]anilino]-1H-indol-2-one has a molecular weight of 2466.46 g/mol, XLogP of 33.29, 24 rotatable bonds, 20 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6-[3-(5-phenyl-1H-1,2,4-triazol-3-yl)anilino]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[[2-[3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]amino]-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[3-[2-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]anilino]-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[3-[5-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]anilino]-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[3-[5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]anilino]-1H-indol-2-one is sourced from PubChem (CID 159339347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).