4,4-diethyl-3,7,7-trimethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;4-(3-isocyanophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4-(3-isocyanophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4-(3-isocyanophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,7,7-trimethyl-4,4-dipropyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3',7',7'-trimethylspiro[1,2-dihydroindene-3,4'-2,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3',7',7'-trimethylspiro[2,3-dihydro-1H-naphthalene-4,4'-2,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3,7,7-trimethylspiro[2,6,8,9-tetrahydrobenzo[f]indazole-4,3'-2H-1-benzofuran]-5-one;3,7,7-trimethylspiro[2,6,8,9-tetrahydrobenzo[f]indazole-4,1'-cyclohexane]-5-one;3,7,7-trimethylspiro[2,6,8,9-tetrahydrobenzo[f]indazole-4,1'-cyclopentane]-5-one

C270H319N29O14 — CID 158025659

IUPAC4,4-diethyl-3,7,7-trimethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;4-(3-isocyanophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4-(3-isocyanophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4-(3-isocyanophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,7,7-trimethyl-4,4-dipropyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3',7',7'-trimethylspiro[1,2-dihydroindene-3,4'-2,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3',7',7'-trimethylspiro[2,3-dihydro-1H-naphthalene-4,4'-2,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3,7,7-trimethylspiro[2,6,8,9-tetrahydrobenzo[f]indazole-4,3'-2H-1-benzofuran]-5-one;3,7,7-trimethylspiro[2,6,8,9-tetrahydrobenzo[f]indazole-4,1'-cyclohexane]-5-one;3,7,7-trimethylspiro[2,6,8,9-tetrahydrobenzo[f]indazole-4,1'-cyclopentane]-5-one
SMILESCCC1(CC)C2=C(Cc3n[nH]c(C)c31)CC(C)(C)CC2=O.CCCC1(CCC)C2=C(Cc3n[nH]c(C)c31)CC(C)(C)CC2=O.Cc1[nH]nc2c1C(C)(c1ccccc1)C1=C(C2)CC(C)(C)CC1=O.Cc1[nH]nc2c1C1(CCCC1)C1=C(C2)CC(C)(C)CC1=O.Cc1[nH]nc2c1C1(CCCCC1)C1=C(C2)CC(C)(C)CC1=O.Cc1[nH]nc2c1C1(CCCc3ccccc31)C1=C(C2)CC(C)(C)CC1=O.Cc1[nH]nc2c1C1(CCc3ccccc31)C1=C(C2)CC(C)(C)CC1=O.Cc1[nH]nc2c1C1(COc3ccccc31)C1=C(C2)CC(C)(C)CC1=O.Cc1[nH]nc2c1[C@@](C)(c1ccccc1)C1=C(C2)CC(C)(C)CC1=O.Cc1[nH]nc2c1[C@](C)(c1ccccc1)C1=C(C2)CC(C)(C)CC1=O.[C-]#[N+]c1cccc(C2(C)C3=C(Cc4n[nH]c(C)c42)CC(C)(C)CC3=O)c1.[C-]#[N+]c1cccc([C@@]2(C)C3=C(Cc4n[nH]c(C)c42)CC(C)(C)CC3=O)c1.[C-]#[N+]c1cccc([C@]2(C)C3=C(Cc4n[nH]c(C)c42)CC(C)(C)CC3=O)c1
InChIInChI=1S/C23H26N2O.3C22H23N3O.C22H24N2O.C21H22N2O2.3C21H24N2O.C20H30N2O.C19H26N2O.C18H24N2O.C18H26N2O/c1-14-20-18(25-24-14)11-16-12-22(2,3)13-19(26)21(16)23(20)10-6-8-15-7-4-5-9-17(15)23;3*1-13-19-17(25-24-13)9-14-11-21(2,3)12-18(26)20(14)22(19,4)15-7-6-8-16(10-15)23-5;1-13-19-17(24-23-13)10-15-11-21(2,3)12-18(25)20(15)22(19)9-8-14-6-4-5-7-16(14)22;1-12-18-15(23-22-12)8-13-9-20(2,3)10-16(24)19(13)21(18)11-25-17-7-5-4-6-14(17)21;3*1-13-18-16(23-22-13)10-14-11-20(2,3)12-17(24)19(14)21(18,4)15-8-6-5-7-9-15;1-6-8-20(9-7-2)17-13(3)21-22-15(17)10-14-11-19(4,5)12-16(23)18(14)20;1-12-16-14(21-20-12)9-13-10-18(2,3)11-15(22)17(13)19(16)7-5-4-6-8-19;1-11-15-13(20-19-11)8-12-9-17(2,3)10-14(21)16(12)18(15)6-4-5-7-18;1-6-18(7-2)15-11(3)19-20-13(15)8-12-9-17(4,5)10-14(21)16(12)18/h4-5,7,9H,6,8,10-13H2,1-3H3,(H,24,25);3*6-8,10H,9,11-12H2,1-4H3,(H,24,25);4-7H,8-12H2,1-3H3,(H,23,24);4-7H,8-11H2,1-3H3,(H,22,23);3*5-9H,10-12H2,1-4H3,(H,22,23);6-12H2,1-5H3,(H,21,22);4-11H2,1-3H3,(H,20,21);4-10H2,1-3H3,(H,19,20);6-10H2,1-5H3,(H,19,20)/t;2*22-;;;;2*21-;;;;;/m.10...10...../s1
InChIKeyFGOPZCCULOIWBX-KRUSLOQWSA-N
MW4194.71 g/mol
LogP56.41
Rot. Bonds12

About 4,4-diethyl-3,7,7-trimethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;4-(3-isocyanophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4-(3-isocyanophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4-(3-isocyanophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,7,7-trimethyl-4,4-dipropyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3',7',7'-trimethylspiro[1,2-dihydroindene-3,4'-2,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3',7',7'-trimethylspiro[2,3-dihydro-1H-naphthalene-4,4'-2,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3,7,7-trimethylspiro[2,6,8,9-tetrahydrobenzo[f]indazole-4,3'-2H-1-benzofuran]-5-one;3,7,7-trimethylspiro[2,6,8,9-tetrahydrobenzo[f]indazole-4,1'-cyclohexane]-5-one;3,7,7-trimethylspiro[2,6,8,9-tetrahydrobenzo[f]indazole-4,1'-cyclopentane]-5-one

4,4-diethyl-3,7,7-trimethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;4-(3-isocyanophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4-(3-isocyanophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4-(3-isocyanophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,7,7-trimethyl-4,4-dipropyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3',7',7'-trimethylspiro[1,2-dihydroindene-3,4'-2,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3',7',7'-trimethylspiro[2,3-dihydro-1H-naphthalene-4,4'-2,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3,7,7-trimethylspiro[2,6,8,9-tetrahydrobenzo[f]indazole-4,3'-2H-1-benzofuran]-5-one;3,7,7-trimethylspiro[2,6,8,9-tetrahydrobenzo[f]indazole-4,1'-cyclohexane]-5-one;3,7,7-trimethylspiro[2,6,8,9-tetrahydrobenzo[f]indazole-4,1'-cyclopentane]-5-one (PubChem CID 158025659) has the molecular formula C270H319N29O14 and a molecular weight of 4194.71 g/mol. Its IUPAC name is 4,4-diethyl-3,7,7-trimethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;4-(3-isocyanophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4-(3-isocyanophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4-(3-isocyanophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,7,7-trimethyl-4,4-dipropyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3',7',7'-trimethylspiro[1,2-dihydroindene-3,4'-2,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3',7',7'-trimethylspiro[2,3-dihydro-1H-naphthalene-4,4'-2,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3,7,7-trimethylspiro[2,6,8,9-tetrahydrobenzo[f]indazole-4,3'-2H-1-benzofuran]-5-one;3,7,7-trimethylspiro[2,6,8,9-tetrahydrobenzo[f]indazole-4,1'-cyclohexane]-5-one;3,7,7-trimethylspiro[2,6,8,9-tetrahydrobenzo[f]indazole-4,1'-cyclopentane]-5-one.

Molecular Properties

Compound Name4,4-diethyl-3,7,7-trimethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;4-(3-isocyanophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4-(3-isocyanophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4-(3-isocyanophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,7,7-trimethyl-4,4-dipropyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3',7',7'-trimethylspiro[1,2-dihydroindene-3,4'-2,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3',7',7'-trimethylspiro[2,3-dihydro-1H-naphthalene-4,4'-2,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3,7,7-trimethylspiro[2,6,8,9-tetrahydrobenzo[f]indazole-4,3'-2H-1-benzofuran]-5-one;3,7,7-trimethylspiro[2,6,8,9-tetrahydrobenzo[f]indazole-4,1'-cyclohexane]-5-one;3,7,7-trimethylspiro[2,6,8,9-tetrahydrobenzo[f]indazole-4,1'-cyclopentane]-5-one
PubChem CID158025659
Molecular FormulaC270H319N29O14
Molecular Weight4194.71 g/mol
Exact Mass4191.51
IUPAC Name4,4-diethyl-3,7,7-trimethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;4-(3-isocyanophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4-(3-isocyanophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4-(3-isocyanophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,7,7-trimethyl-4,4-dipropyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3',7',7'-trimethylspiro[1,2-dihydroindene-3,4'-2,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3',7',7'-trimethylspiro[2,3-dihydro-1H-naphthalene-4,4'-2,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3,7,7-trimethylspiro[2,6,8,9-tetrahydrobenzo[f]indazole-4,3'-2H-1-benzofuran]-5-one;3,7,7-trimethylspiro[2,6,8,9-tetrahydrobenzo[f]indazole-4,1'-cyclohexane]-5-one;3,7,7-trimethylspiro[2,6,8,9-tetrahydrobenzo[f]indazole-4,1'-cyclopentane]-5-one
SMILESCCC1(CC)C2=C(Cc3n[nH]c(C)c31)CC(C)(C)CC2=O.CCCC1(CCC)C2=C(Cc3n[nH]c(C)c31)CC(C)(C)CC2=O.Cc1[nH]nc2c1C(C)(c1ccccc1)C1=C(C2)CC(C)(C)CC1=O.Cc1[nH]nc2c1C1(CCCC1)C1=C(C2)CC(C)(C)CC1=O.Cc1[nH]nc2c1C1(CCCCC1)C1=C(C2)CC(C)(C)CC1=O.Cc1[nH]nc2c1C1(CCCc3ccccc31)C1=C(C2)CC(C)(C)CC1=O.Cc1[nH]nc2c1C1(CCc3ccccc31)C1=C(C2)CC(C)(C)CC1=O.Cc1[nH]nc2c1C1(COc3ccccc31)C1=C(C2)CC(C)(C)CC1=O.Cc1[nH]nc2c1[C@@](C)(c1ccccc1)C1=C(C2)CC(C)(C)CC1=O.Cc1[nH]nc2c1[C@](C)(c1ccccc1)C1=C(C2)CC(C)(C)CC1=O.[C-]#[N+]c1cccc(C2(C)C3=C(Cc4n[nH]c(C)c42)CC(C)(C)CC3=O)c1.[C-]#[N+]c1cccc([C@@]2(C)C3=C(Cc4n[nH]c(C)c42)CC(C)(C)CC3=O)c1.[C-]#[N+]c1cccc([C@]2(C)C3=C(Cc4n[nH]c(C)c42)CC(C)(C)CC3=O)c1
InChIInChI=1S/C23H26N2O.3C22H23N3O.C22H24N2O.C21H22N2O2.3C21H24N2O.C20H30N2O.C19H26N2O.C18H24N2O.C18H26N2O/c1-14-20-18(25-24-14)11-16-12-22(2,3)13-19(26)21(16)23(20)10-6-8-15-7-4-5-9-17(15)23;3*1-13-19-17(25-24-13)9-14-11-21(2,3)12-18(26)20(14)22(19,4)15-7-6-8-16(10-15)23-5;1-13-19-17(24-23-13)10-15-11-21(2,3)12-18(25)20(15)22(19)9-8-14-6-4-5-7-16(14)22;1-12-18-15(23-22-12)8-13-9-20(2,3)10-16(24)19(13)21(18)11-25-17-7-5-4-6-14(17)21;3*1-13-18-16(23-22-13)10-14-11-20(2,3)12-17(24)19(14)21(18,4)15-8-6-5-7-9-15;1-6-8-20(9-7-2)17-13(3)21-22-15(17)10-14-11-19(4,5)12-16(23)18(14)20;1-12-16-14(21-20-12)9-13-10-18(2,3)11-15(22)17(13)19(16)7-5-4-6-8-19;1-11-15-13(20-19-11)8-12-9-17(2,3)10-14(21)16(12)18(15)6-4-5-7-18;1-6-18(7-2)15-11(3)19-20-13(15)8-12-9-17(4,5)10-14(21)16(12)18/h4-5,7,9H,6,8,10-13H2,1-3H3,(H,24,25);3*6-8,10H,9,11-12H2,1-4H3,(H,24,25);4-7H,8-12H2,1-3H3,(H,23,24);4-7H,8-11H2,1-3H3,(H,22,23);3*5-9H,10-12H2,1-4H3,(H,22,23);6-12H2,1-5H3,(H,21,22);4-11H2,1-3H3,(H,20,21);4-10H2,1-3H3,(H,19,20);6-10H2,1-5H3,(H,19,20)/t;2*22-;;;;2*21-;;;;;/m.10...10...../s1
InChIKeyFGOPZCCULOIWBX-KRUSLOQWSA-N
XLogP56.41
TPSA617.06 Ų
H-Bond Donors13
H-Bond Acceptors27
Rotatable Bonds12
Heavy Atoms313
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004194.71
LogP ≤ 556.41
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1027

Analyze 4,4-diethyl-3,7,7-trimethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;4-(3-isocyanophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4-(3-isocyanophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4-(3-isocyanophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,7,7-trimethyl-4,4-dipropyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3',7',7'-trimethylspiro[1,2-dihydroindene-3,4'-2,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3',7',7'-trimethylspiro[2,3-dihydro-1H-naphthalene-4,4'-2,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3,7,7-trimethylspiro[2,6,8,9-tetrahydrobenzo[f]indazole-4,3'-2H-1-benzofuran]-5-one;3,7,7-trimethylspiro[2,6,8,9-tetrahydrobenzo[f]indazole-4,1'-cyclohexane]-5-one;3,7,7-trimethylspiro[2,6,8,9-tetrahydrobenzo[f]indazole-4,1'-cyclopentane]-5-one 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

Frequently Asked Questions

What is the IUPAC name of 4,4-diethyl-3,7,7-trimethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;4-(3-isocyanophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4-(3-isocyanophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4-(3-isocyanophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,7,7-trimethyl-4,4-dipropyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3',7',7'-trimethylspiro[1,2-dihydroindene-3,4'-2,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3',7',7'-trimethylspiro[2,3-dihydro-1H-naphthalene-4,4'-2,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3,7,7-trimethylspiro[2,6,8,9-tetrahydrobenzo[f]indazole-4,3'-2H-1-benzofuran]-5-one;3,7,7-trimethylspiro[2,6,8,9-tetrahydrobenzo[f]indazole-4,1'-cyclohexane]-5-one;3,7,7-trimethylspiro[2,6,8,9-tetrahydrobenzo[f]indazole-4,1'-cyclopentane]-5-one?
The IUPAC name of 4,4-diethyl-3,7,7-trimethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;4-(3-isocyanophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4-(3-isocyanophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4-(3-isocyanophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,7,7-trimethyl-4,4-dipropyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3',7',7'-trimethylspiro[1,2-dihydroindene-3,4'-2,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3',7',7'-trimethylspiro[2,3-dihydro-1H-naphthalene-4,4'-2,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3,7,7-trimethylspiro[2,6,8,9-tetrahydrobenzo[f]indazole-4,3'-2H-1-benzofuran]-5-one;3,7,7-trimethylspiro[2,6,8,9-tetrahydrobenzo[f]indazole-4,1'-cyclohexane]-5-one;3,7,7-trimethylspiro[2,6,8,9-tetrahydrobenzo[f]indazole-4,1'-cyclopentane]-5-one (CID 158025659) is 4,4-diethyl-3,7,7-trimethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;4-(3-isocyanophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4-(3-isocyanophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4-(3-isocyanophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,7,7-trimethyl-4,4-dipropyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3',7',7'-trimethylspiro[1,2-dihydroindene-3,4'-2,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3',7',7'-trimethylspiro[2,3-dihydro-1H-naphthalene-4,4'-2,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3,7,7-trimethylspiro[2,6,8,9-tetrahydrobenzo[f]indazole-4,3'-2H-1-benzofuran]-5-one;3,7,7-trimethylspiro[2,6,8,9-tetrahydrobenzo[f]indazole-4,1'-cyclohexane]-5-one;3,7,7-trimethylspiro[2,6,8,9-tetrahydrobenzo[f]indazole-4,1'-cyclopentane]-5-one.
What is the SMILES notation for 4,4-diethyl-3,7,7-trimethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;4-(3-isocyanophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4-(3-isocyanophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4-(3-isocyanophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,7,7-trimethyl-4,4-dipropyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3',7',7'-trimethylspiro[1,2-dihydroindene-3,4'-2,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3',7',7'-trimethylspiro[2,3-dihydro-1H-naphthalene-4,4'-2,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3,7,7-trimethylspiro[2,6,8,9-tetrahydrobenzo[f]indazole-4,3'-2H-1-benzofuran]-5-one;3,7,7-trimethylspiro[2,6,8,9-tetrahydrobenzo[f]indazole-4,1'-cyclohexane]-5-one;3,7,7-trimethylspiro[2,6,8,9-tetrahydrobenzo[f]indazole-4,1'-cyclopentane]-5-one?
The canonical SMILES for 4,4-diethyl-3,7,7-trimethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;4-(3-isocyanophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4-(3-isocyanophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4-(3-isocyanophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,7,7-trimethyl-4,4-dipropyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3',7',7'-trimethylspiro[1,2-dihydroindene-3,4'-2,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3',7',7'-trimethylspiro[2,3-dihydro-1H-naphthalene-4,4'-2,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3,7,7-trimethylspiro[2,6,8,9-tetrahydrobenzo[f]indazole-4,3'-2H-1-benzofuran]-5-one;3,7,7-trimethylspiro[2,6,8,9-tetrahydrobenzo[f]indazole-4,1'-cyclohexane]-5-one;3,7,7-trimethylspiro[2,6,8,9-tetrahydrobenzo[f]indazole-4,1'-cyclopentane]-5-one is CCC1(CC)C2=C(Cc3n[nH]c(C)c31)CC(C)(C)CC2=O.CCCC1(CCC)C2=C(Cc3n[nH]c(C)c31)CC(C)(C)CC2=O.Cc1[nH]nc2c1C(C)(c1ccccc1)C1=C(C2)CC(C)(C)CC1=O.Cc1[nH]nc2c1C1(CCCC1)C1=C(C2)CC(C)(C)CC1=O.Cc1[nH]nc2c1C1(CCCCC1)C1=C(C2)CC(C)(C)CC1=O.Cc1[nH]nc2c1C1(CCCc3ccccc31)C1=C(C2)CC(C)(C)CC1=O.Cc1[nH]nc2c1C1(CCc3ccccc31)C1=C(C2)CC(C)(C)CC1=O.Cc1[nH]nc2c1C1(COc3ccccc31)C1=C(C2)CC(C)(C)CC1=O.Cc1[nH]nc2c1[C@@](C)(c1ccccc1)C1=C(C2)CC(C)(C)CC1=O.Cc1[nH]nc2c1[C@](C)(c1ccccc1)C1=C(C2)CC(C)(C)CC1=O.[C-]#[N+]c1cccc(C2(C)C3=C(Cc4n[nH]c(C)c42)CC(C)(C)CC3=O)c1.[C-]#[N+]c1cccc([C@@]2(C)C3=C(Cc4n[nH]c(C)c42)CC(C)(C)CC3=O)c1.[C-]#[N+]c1cccc([C@]2(C)C3=C(Cc4n[nH]c(C)c42)CC(C)(C)CC3=O)c1.
What is the InChIKey of 4,4-diethyl-3,7,7-trimethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;4-(3-isocyanophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4-(3-isocyanophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4-(3-isocyanophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,7,7-trimethyl-4,4-dipropyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3',7',7'-trimethylspiro[1,2-dihydroindene-3,4'-2,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3',7',7'-trimethylspiro[2,3-dihydro-1H-naphthalene-4,4'-2,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3,7,7-trimethylspiro[2,6,8,9-tetrahydrobenzo[f]indazole-4,3'-2H-1-benzofuran]-5-one;3,7,7-trimethylspiro[2,6,8,9-tetrahydrobenzo[f]indazole-4,1'-cyclohexane]-5-one;3,7,7-trimethylspiro[2,6,8,9-tetrahydrobenzo[f]indazole-4,1'-cyclopentane]-5-one?
The InChIKey is FGOPZCCULOIWBX-KRUSLOQWSA-N. The full InChI is InChI=1S/C23H26N2O.3C22H23N3O.C22H24N2O.C21H22N2O2.3C21H24N2O.C20H30N2O.C19H26N2O.C18H24N2O.C18H26N2O/c1-14-20-18(25-24-14)11-16-12-22(2,3)13-19(26)21(16)23(20)10-6-8-15-7-4-5-9-17(15)23;3*1-13-19-17(25-24-13)9-14-11-21(2,3)12-18(26)20(14)22(19,4)15-7-6-8-16(10-15)23-5;1-13-19-17(24-23-13)10-15-11-21(2,3)12-18(25)20(15)22(19)9-8-14-6-4-5-7-16(14)22;1-12-18-15(23-22-12)8-13-9-20(2,3)10-16(24)19(13)21(18)11-25-17-7-5-4-6-14(17)21;3*1-13-18-16(23-22-13)10-14-11-20(2,3)12-17(24)19(14)21(18,4)15-8-6-5-7-9-15;1-6-8-20(9-7-2)17-13(3)21-22-15(17)10-14-11-19(4,5)12-16(23)18(14)20;1-12-16-14(21-20-12)9-13-10-18(2,3)11-15(22)17(13)19(16)7-5-4-6-8-19;1-11-15-13(20-19-11)8-12-9-17(2,3)10-14(21)16(12)18(15)6-4-5-7-18;1-6-18(7-2)15-11(3)19-20-13(15)8-12-9-17(4,5)10-14(21)16(12)18/h4-5,7,9H,6,8,10-13H2,1-3H3,(H,24,25);3*6-8,10H,9,11-12H2,1-4H3,(H,24,25);4-7H,8-12H2,1-3H3,(H,23,24);4-7H,8-11H2,1-3H3,(H,22,23);3*5-9H,10-12H2,1-4H3,(H,22,23);6-12H2,1-5H3,(H,21,22);4-11H2,1-3H3,(H,20,21);4-10H2,1-3H3,(H,19,20);6-10H2,1-5H3,(H,19,20)/t;2*22-;;;;2*21-;;;;;/m.10...10...../s1.
What are the key properties of 4,4-diethyl-3,7,7-trimethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;4-(3-isocyanophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4-(3-isocyanophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4-(3-isocyanophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,7,7-trimethyl-4,4-dipropyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3',7',7'-trimethylspiro[1,2-dihydroindene-3,4'-2,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3',7',7'-trimethylspiro[2,3-dihydro-1H-naphthalene-4,4'-2,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3,7,7-trimethylspiro[2,6,8,9-tetrahydrobenzo[f]indazole-4,3'-2H-1-benzofuran]-5-one;3,7,7-trimethylspiro[2,6,8,9-tetrahydrobenzo[f]indazole-4,1'-cyclohexane]-5-one;3,7,7-trimethylspiro[2,6,8,9-tetrahydrobenzo[f]indazole-4,1'-cyclopentane]-5-one?
4,4-diethyl-3,7,7-trimethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;4-(3-isocyanophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4-(3-isocyanophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4-(3-isocyanophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,7,7-trimethyl-4,4-dipropyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3',7',7'-trimethylspiro[1,2-dihydroindene-3,4'-2,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3',7',7'-trimethylspiro[2,3-dihydro-1H-naphthalene-4,4'-2,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3,7,7-trimethylspiro[2,6,8,9-tetrahydrobenzo[f]indazole-4,3'-2H-1-benzofuran]-5-one;3,7,7-trimethylspiro[2,6,8,9-tetrahydrobenzo[f]indazole-4,1'-cyclohexane]-5-one;3,7,7-trimethylspiro[2,6,8,9-tetrahydrobenzo[f]indazole-4,1'-cyclopentane]-5-one has a molecular weight of 4194.71 g/mol, XLogP of 56.41, 12 rotatable bonds, 13 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethyl-3,7,7-trimethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;4-(3-isocyanophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4-(3-isocyanophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4-(3-isocyanophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,7,7-trimethyl-4,4-dipropyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3',7',7'-trimethylspiro[1,2-dihydroindene-3,4'-2,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3',7',7'-trimethylspiro[2,3-dihydro-1H-naphthalene-4,4'-2,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3,7,7-trimethylspiro[2,6,8,9-tetrahydrobenzo[f]indazole-4,3'-2H-1-benzofuran]-5-one;3,7,7-trimethylspiro[2,6,8,9-tetrahydrobenzo[f]indazole-4,1'-cyclohexane]-5-one;3,7,7-trimethylspiro[2,6,8,9-tetrahydrobenzo[f]indazole-4,1'-cyclopentane]-5-one is sourced from PubChem (CID 158025659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).