N-[2-amino-1-(3-methylphenyl)ethyl]-2-(difluoromethoxy)-5-(3-fluoro-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-2-(difluoromethoxy)-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-3-(3-fluoro-2H-indazol-5-yl)-5-methoxybenzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-5-(3-fluoro-2H-indazol-5-yl)-2-methoxybenzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-2-methoxy-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-3-methoxy-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-5-(3-methyl-2H-indazol-5-yl)-2-(trifluoromethoxy)benzamide;4-(3-methyl-2H-indazol-5-yl)-N-[3-(3-methylphenyl)pyrrolidin-3-yl]pyridine-2-carboxamide

C197H191F10N33O15 — CID 165006047

IUPACN-[2-amino-1-(3-methylphenyl)ethyl]-2-(difluoromethoxy)-5-(3-fluoro-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-2-(difluoromethoxy)-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-3-(3-fluoro-2H-indazol-5-yl)-5-methoxybenzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-5-(3-fluoro-2H-indazol-5-yl)-2-methoxybenzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-2-methoxy-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-3-methoxy-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-5-(3-methyl-2H-indazol-5-yl)-2-(trifluoromethoxy)benzamide;4-(3-methyl-2H-indazol-5-yl)-N-[3-(3-methylphenyl)pyrrolidin-3-yl]pyridine-2-carboxamide
SMILESCOc1cc(C(=O)NC(CN)c2cccc(C)c2)cc(-c2ccc3n[nH]c(C)c3c2)c1.COc1cc(C(=O)NC(CN)c2cccc(C)c2)cc(-c2ccc3n[nH]c(F)c3c2)c1.COc1ccc(-c2ccc3n[nH]c(C)c3c2)cc1C(=O)NC(CN)c1cccc(C)c1.COc1ccc(-c2ccc3n[nH]c(F)c3c2)cc1C(=O)NC(CN)c1cccc(C)c1.Cc1cccc(C(CN)NC(=O)c2cc(-c3ccc4n[nH]c(C)c4c3)ccc2OC(F)(F)F)c1.Cc1cccc(C(CN)NC(=O)c2cc(-c3ccc4n[nH]c(C)c4c3)ccc2OC(F)F)c1.Cc1cccc(C(CN)NC(=O)c2cc(-c3ccc4n[nH]c(F)c4c3)ccc2OC(F)F)c1.Cc1cccc(C2(NC(=O)c3cc(-c4ccc5n[nH]c(C)c5c4)ccn3)CCNC2)c1
InChIInChI=1S/C25H23F3N4O2.C25H24F2N4O2.C25H25N5O.2C25H26N4O2.C24H21F3N4O2.2C24H23FN4O2/c1-14-4-3-5-18(10-14)22(13-29)30-24(33)20-12-17(7-9-23(20)34-25(26,27)28)16-6-8-21-19(11-16)15(2)31-32-21;1-14-4-3-5-18(10-14)22(13-28)29-24(32)20-12-17(7-9-23(20)33-25(26)27)16-6-8-21-19(11-16)15(2)30-31-21;1-16-4-3-5-20(12-16)25(9-11-26-15-25)28-24(31)23-14-19(8-10-27-23)18-6-7-22-21(13-18)17(2)29-30-22;1-15-5-4-6-19(11-15)23(14-26)27-25(30)21-13-18(8-10-24(21)31-3)17-7-9-22-20(12-17)16(2)28-29-22;1-15-5-4-6-18(9-15)24(14-26)27-25(30)20-10-19(11-21(12-20)31-3)17-7-8-23-22(13-17)16(2)28-29-23;1-13-3-2-4-16(9-13)20(12-28)29-23(32)18-11-15(6-8-21(18)33-24(26)27)14-5-7-19-17(10-14)22(25)31-30-19;1-14-4-3-5-17(10-14)21(13-26)27-24(30)19-12-16(7-9-22(19)31-2)15-6-8-20-18(11-15)23(25)29-28-20;1-14-4-3-5-16(8-14)22(13-26)27-24(30)18-9-17(10-19(11-18)31-2)15-6-7-21-20(12-15)23(25)29-28-21/h3-12,22H,13,29H2,1-2H3,(H,30,33)(H,31,32);3-12,22,25H,13,28H2,1-2H3,(H,29,32)(H,30,31);3-8,10,12-14,26H,9,11,15H2,1-2H3,(H,28,31)(H,29,30);4-13,23H,14,26H2,1-3H3,(H,27,30)(H,28,29);4-13,24H,14,26H2,1-3H3,(H,27,30)(H,28,29);2-11,20,24H,12,28H2,1H3,(H,29,32)(H,30,31);3-12,21H,13,26H2,1-2H3,(H,27,30)(H,28,29);3-12,22H,13,26H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyIYZOYNARPSEDIH-UHFFFAOYSA-N
MW3450.89 g/mol
LogP35.42
Rot. Bonds48

About N-[2-amino-1-(3-methylphenyl)ethyl]-2-(difluoromethoxy)-5-(3-fluoro-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-2-(difluoromethoxy)-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-3-(3-fluoro-2H-indazol-5-yl)-5-methoxybenzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-5-(3-fluoro-2H-indazol-5-yl)-2-methoxybenzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-2-methoxy-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-3-methoxy-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-5-(3-methyl-2H-indazol-5-yl)-2-(trifluoromethoxy)benzamide;4-(3-methyl-2H-indazol-5-yl)-N-[3-(3-methylphenyl)pyrrolidin-3-yl]pyridine-2-carboxamide

N-[2-amino-1-(3-methylphenyl)ethyl]-2-(difluoromethoxy)-5-(3-fluoro-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-2-(difluoromethoxy)-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-3-(3-fluoro-2H-indazol-5-yl)-5-methoxybenzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-5-(3-fluoro-2H-indazol-5-yl)-2-methoxybenzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-2-methoxy-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-3-methoxy-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-5-(3-methyl-2H-indazol-5-yl)-2-(trifluoromethoxy)benzamide;4-(3-methyl-2H-indazol-5-yl)-N-[3-(3-methylphenyl)pyrrolidin-3-yl]pyridine-2-carboxamide (PubChem CID 165006047) has the molecular formula C197H191F10N33O15 and a molecular weight of 3450.89 g/mol. Its IUPAC name is N-[2-amino-1-(3-methylphenyl)ethyl]-2-(difluoromethoxy)-5-(3-fluoro-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-2-(difluoromethoxy)-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-3-(3-fluoro-2H-indazol-5-yl)-5-methoxybenzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-5-(3-fluoro-2H-indazol-5-yl)-2-methoxybenzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-2-methoxy-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-3-methoxy-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-5-(3-methyl-2H-indazol-5-yl)-2-(trifluoromethoxy)benzamide;4-(3-methyl-2H-indazol-5-yl)-N-[3-(3-methylphenyl)pyrrolidin-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-amino-1-(3-methylphenyl)ethyl]-2-(difluoromethoxy)-5-(3-fluoro-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-2-(difluoromethoxy)-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-3-(3-fluoro-2H-indazol-5-yl)-5-methoxybenzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-5-(3-fluoro-2H-indazol-5-yl)-2-methoxybenzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-2-methoxy-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-3-methoxy-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-5-(3-methyl-2H-indazol-5-yl)-2-(trifluoromethoxy)benzamide;4-(3-methyl-2H-indazol-5-yl)-N-[3-(3-methylphenyl)pyrrolidin-3-yl]pyridine-2-carboxamide
PubChem CID165006047
Molecular FormulaC197H191F10N33O15
Molecular Weight3450.89 g/mol
Exact Mass3448.50
IUPAC NameN-[2-amino-1-(3-methylphenyl)ethyl]-2-(difluoromethoxy)-5-(3-fluoro-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-2-(difluoromethoxy)-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-3-(3-fluoro-2H-indazol-5-yl)-5-methoxybenzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-5-(3-fluoro-2H-indazol-5-yl)-2-methoxybenzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-2-methoxy-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-3-methoxy-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-5-(3-methyl-2H-indazol-5-yl)-2-(trifluoromethoxy)benzamide;4-(3-methyl-2H-indazol-5-yl)-N-[3-(3-methylphenyl)pyrrolidin-3-yl]pyridine-2-carboxamide
SMILESCOc1cc(C(=O)NC(CN)c2cccc(C)c2)cc(-c2ccc3n[nH]c(C)c3c2)c1.COc1cc(C(=O)NC(CN)c2cccc(C)c2)cc(-c2ccc3n[nH]c(F)c3c2)c1.COc1ccc(-c2ccc3n[nH]c(C)c3c2)cc1C(=O)NC(CN)c1cccc(C)c1.COc1ccc(-c2ccc3n[nH]c(F)c3c2)cc1C(=O)NC(CN)c1cccc(C)c1.Cc1cccc(C(CN)NC(=O)c2cc(-c3ccc4n[nH]c(C)c4c3)ccc2OC(F)(F)F)c1.Cc1cccc(C(CN)NC(=O)c2cc(-c3ccc4n[nH]c(C)c4c3)ccc2OC(F)F)c1.Cc1cccc(C(CN)NC(=O)c2cc(-c3ccc4n[nH]c(F)c4c3)ccc2OC(F)F)c1.Cc1cccc(C2(NC(=O)c3cc(-c4ccc5n[nH]c(C)c5c4)ccn3)CCNC2)c1
InChIInChI=1S/C25H23F3N4O2.C25H24F2N4O2.C25H25N5O.2C25H26N4O2.C24H21F3N4O2.2C24H23FN4O2/c1-14-4-3-5-18(10-14)22(13-29)30-24(33)20-12-17(7-9-23(20)34-25(26,27)28)16-6-8-21-19(11-16)15(2)31-32-21;1-14-4-3-5-18(10-14)22(13-28)29-24(32)20-12-17(7-9-23(20)33-25(26)27)16-6-8-21-19(11-16)15(2)30-31-21;1-16-4-3-5-20(12-16)25(9-11-26-15-25)28-24(31)23-14-19(8-10-27-23)18-6-7-22-21(13-18)17(2)29-30-22;1-15-5-4-6-19(11-15)23(14-26)27-25(30)21-13-18(8-10-24(21)31-3)17-7-9-22-20(12-17)16(2)28-29-22;1-15-5-4-6-18(9-15)24(14-26)27-25(30)20-10-19(11-21(12-20)31-3)17-7-8-23-22(13-17)16(2)28-29-23;1-13-3-2-4-16(9-13)20(12-28)29-23(32)18-11-15(6-8-21(18)33-24(26)27)14-5-7-19-17(10-14)22(25)31-30-19;1-14-4-3-5-17(10-14)21(13-26)27-24(30)19-12-16(7-9-22(19)31-2)15-6-8-20-18(11-15)23(25)29-28-20;1-14-4-3-5-16(8-14)22(13-26)27-24(30)18-9-17(10-19(11-18)31-2)15-6-7-21-20(12-15)23(25)29-28-21/h3-12,22H,13,29H2,1-2H3,(H,30,33)(H,31,32);3-12,22,25H,13,28H2,1-2H3,(H,29,32)(H,30,31);3-8,10,12-14,26H,9,11,15H2,1-2H3,(H,28,31)(H,29,30);4-13,23H,14,26H2,1-3H3,(H,27,30)(H,28,29);4-13,24H,14,26H2,1-3H3,(H,27,30)(H,28,29);2-11,20,24H,12,28H2,1H3,(H,29,32)(H,30,31);3-12,21H,13,26H2,1-2H3,(H,27,30)(H,28,29);3-12,22H,13,26H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyIYZOYNARPSEDIH-UHFFFAOYSA-N
XLogP35.42
TPSA733.91 Ų
H-Bond Donors24
H-Bond Acceptors32
Rotatable Bonds48
Heavy Atoms255
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003450.89
LogP ≤ 535.42
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1032

Analyze N-[2-amino-1-(3-methylphenyl)ethyl]-2-(difluoromethoxy)-5-(3-fluoro-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-2-(difluoromethoxy)-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-3-(3-fluoro-2H-indazol-5-yl)-5-methoxybenzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-5-(3-fluoro-2H-indazol-5-yl)-2-methoxybenzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-2-methoxy-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-3-methoxy-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-5-(3-methyl-2H-indazol-5-yl)-2-(trifluoromethoxy)benzamide;4-(3-methyl-2H-indazol-5-yl)-N-[3-(3-methylphenyl)pyrrolidin-3-yl]pyridine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

4-(3-fluoro-2H-indazol-5-yl)-N-[3-(3-methoxyphenyl)pyrrolidin-3-yl]pyridine-2-carboxamide
CID 165112399
N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(pyrrolidine-1-carbonyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
CID 56591360
N-[(3R,6S)-6-[(3-fluoro-4-methoxyphenyl)carbamoyl]-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 70652332
N-[(3R,6S)-6-[(2,4-dimethylphenyl)carbamoyl]-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 70652381
N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[(4-fluorophenyl)carbamoyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 70652868
N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[(4-methoxyphenyl)-methylcarbamoyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 70653077
N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[(4-methoxyphenyl)carbamoyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 89499199
N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[(3-fluorophenyl)carbamoyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 89499350
N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[(4-methoxyphenyl)methylcarbamoyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 89499512
N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(pyrrolidine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 89506461
N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(pyrrolidine-1-carbonyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
CID 89509232
N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[(4-methoxyphenyl)-methylcarbamoyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 123171019

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-1-(3-methylphenyl)ethyl]-2-(difluoromethoxy)-5-(3-fluoro-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-2-(difluoromethoxy)-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-3-(3-fluoro-2H-indazol-5-yl)-5-methoxybenzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-5-(3-fluoro-2H-indazol-5-yl)-2-methoxybenzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-2-methoxy-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-3-methoxy-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-5-(3-methyl-2H-indazol-5-yl)-2-(trifluoromethoxy)benzamide;4-(3-methyl-2H-indazol-5-yl)-N-[3-(3-methylphenyl)pyrrolidin-3-yl]pyridine-2-carboxamide?
The IUPAC name of N-[2-amino-1-(3-methylphenyl)ethyl]-2-(difluoromethoxy)-5-(3-fluoro-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-2-(difluoromethoxy)-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-3-(3-fluoro-2H-indazol-5-yl)-5-methoxybenzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-5-(3-fluoro-2H-indazol-5-yl)-2-methoxybenzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-2-methoxy-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-3-methoxy-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-5-(3-methyl-2H-indazol-5-yl)-2-(trifluoromethoxy)benzamide;4-(3-methyl-2H-indazol-5-yl)-N-[3-(3-methylphenyl)pyrrolidin-3-yl]pyridine-2-carboxamide (CID 165006047) is N-[2-amino-1-(3-methylphenyl)ethyl]-2-(difluoromethoxy)-5-(3-fluoro-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-2-(difluoromethoxy)-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-3-(3-fluoro-2H-indazol-5-yl)-5-methoxybenzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-5-(3-fluoro-2H-indazol-5-yl)-2-methoxybenzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-2-methoxy-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-3-methoxy-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-5-(3-methyl-2H-indazol-5-yl)-2-(trifluoromethoxy)benzamide;4-(3-methyl-2H-indazol-5-yl)-N-[3-(3-methylphenyl)pyrrolidin-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-amino-1-(3-methylphenyl)ethyl]-2-(difluoromethoxy)-5-(3-fluoro-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-2-(difluoromethoxy)-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-3-(3-fluoro-2H-indazol-5-yl)-5-methoxybenzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-5-(3-fluoro-2H-indazol-5-yl)-2-methoxybenzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-2-methoxy-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-3-methoxy-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-5-(3-methyl-2H-indazol-5-yl)-2-(trifluoromethoxy)benzamide;4-(3-methyl-2H-indazol-5-yl)-N-[3-(3-methylphenyl)pyrrolidin-3-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-amino-1-(3-methylphenyl)ethyl]-2-(difluoromethoxy)-5-(3-fluoro-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-2-(difluoromethoxy)-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-3-(3-fluoro-2H-indazol-5-yl)-5-methoxybenzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-5-(3-fluoro-2H-indazol-5-yl)-2-methoxybenzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-2-methoxy-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-3-methoxy-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-5-(3-methyl-2H-indazol-5-yl)-2-(trifluoromethoxy)benzamide;4-(3-methyl-2H-indazol-5-yl)-N-[3-(3-methylphenyl)pyrrolidin-3-yl]pyridine-2-carboxamide is COc1cc(C(=O)NC(CN)c2cccc(C)c2)cc(-c2ccc3n[nH]c(C)c3c2)c1.COc1cc(C(=O)NC(CN)c2cccc(C)c2)cc(-c2ccc3n[nH]c(F)c3c2)c1.COc1ccc(-c2ccc3n[nH]c(C)c3c2)cc1C(=O)NC(CN)c1cccc(C)c1.COc1ccc(-c2ccc3n[nH]c(F)c3c2)cc1C(=O)NC(CN)c1cccc(C)c1.Cc1cccc(C(CN)NC(=O)c2cc(-c3ccc4n[nH]c(C)c4c3)ccc2OC(F)(F)F)c1.Cc1cccc(C(CN)NC(=O)c2cc(-c3ccc4n[nH]c(C)c4c3)ccc2OC(F)F)c1.Cc1cccc(C(CN)NC(=O)c2cc(-c3ccc4n[nH]c(F)c4c3)ccc2OC(F)F)c1.Cc1cccc(C2(NC(=O)c3cc(-c4ccc5n[nH]c(C)c5c4)ccn3)CCNC2)c1.
What is the InChIKey of N-[2-amino-1-(3-methylphenyl)ethyl]-2-(difluoromethoxy)-5-(3-fluoro-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-2-(difluoromethoxy)-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-3-(3-fluoro-2H-indazol-5-yl)-5-methoxybenzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-5-(3-fluoro-2H-indazol-5-yl)-2-methoxybenzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-2-methoxy-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-3-methoxy-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-5-(3-methyl-2H-indazol-5-yl)-2-(trifluoromethoxy)benzamide;4-(3-methyl-2H-indazol-5-yl)-N-[3-(3-methylphenyl)pyrrolidin-3-yl]pyridine-2-carboxamide?
The InChIKey is IYZOYNARPSEDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O2.C25H24F2N4O2.C25H25N5O.2C25H26N4O2.C24H21F3N4O2.2C24H23FN4O2/c1-14-4-3-5-18(10-14)22(13-29)30-24(33)20-12-17(7-9-23(20)34-25(26,27)28)16-6-8-21-19(11-16)15(2)31-32-21;1-14-4-3-5-18(10-14)22(13-28)29-24(32)20-12-17(7-9-23(20)33-25(26)27)16-6-8-21-19(11-16)15(2)30-31-21;1-16-4-3-5-20(12-16)25(9-11-26-15-25)28-24(31)23-14-19(8-10-27-23)18-6-7-22-21(13-18)17(2)29-30-22;1-15-5-4-6-19(11-15)23(14-26)27-25(30)21-13-18(8-10-24(21)31-3)17-7-9-22-20(12-17)16(2)28-29-22;1-15-5-4-6-18(9-15)24(14-26)27-25(30)20-10-19(11-21(12-20)31-3)17-7-8-23-22(13-17)16(2)28-29-23;1-13-3-2-4-16(9-13)20(12-28)29-23(32)18-11-15(6-8-21(18)33-24(26)27)14-5-7-19-17(10-14)22(25)31-30-19;1-14-4-3-5-17(10-14)21(13-26)27-24(30)19-12-16(7-9-22(19)31-2)15-6-8-20-18(11-15)23(25)29-28-20;1-14-4-3-5-16(8-14)22(13-26)27-24(30)18-9-17(10-19(11-18)31-2)15-6-7-21-20(12-15)23(25)29-28-21/h3-12,22H,13,29H2,1-2H3,(H,30,33)(H,31,32);3-12,22,25H,13,28H2,1-2H3,(H,29,32)(H,30,31);3-8,10,12-14,26H,9,11,15H2,1-2H3,(H,28,31)(H,29,30);4-13,23H,14,26H2,1-3H3,(H,27,30)(H,28,29);4-13,24H,14,26H2,1-3H3,(H,27,30)(H,28,29);2-11,20,24H,12,28H2,1H3,(H,29,32)(H,30,31);3-12,21H,13,26H2,1-2H3,(H,27,30)(H,28,29);3-12,22H,13,26H2,1-2H3,(H,27,30)(H,28,29).
What are the key properties of N-[2-amino-1-(3-methylphenyl)ethyl]-2-(difluoromethoxy)-5-(3-fluoro-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-2-(difluoromethoxy)-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-3-(3-fluoro-2H-indazol-5-yl)-5-methoxybenzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-5-(3-fluoro-2H-indazol-5-yl)-2-methoxybenzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-2-methoxy-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-3-methoxy-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-5-(3-methyl-2H-indazol-5-yl)-2-(trifluoromethoxy)benzamide;4-(3-methyl-2H-indazol-5-yl)-N-[3-(3-methylphenyl)pyrrolidin-3-yl]pyridine-2-carboxamide?
N-[2-amino-1-(3-methylphenyl)ethyl]-2-(difluoromethoxy)-5-(3-fluoro-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-2-(difluoromethoxy)-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-3-(3-fluoro-2H-indazol-5-yl)-5-methoxybenzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-5-(3-fluoro-2H-indazol-5-yl)-2-methoxybenzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-2-methoxy-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-3-methoxy-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-5-(3-methyl-2H-indazol-5-yl)-2-(trifluoromethoxy)benzamide;4-(3-methyl-2H-indazol-5-yl)-N-[3-(3-methylphenyl)pyrrolidin-3-yl]pyridine-2-carboxamide has a molecular weight of 3450.89 g/mol, XLogP of 35.42, 48 rotatable bonds, 24 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-1-(3-methylphenyl)ethyl]-2-(difluoromethoxy)-5-(3-fluoro-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-2-(difluoromethoxy)-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-3-(3-fluoro-2H-indazol-5-yl)-5-methoxybenzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-5-(3-fluoro-2H-indazol-5-yl)-2-methoxybenzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-2-methoxy-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-3-methoxy-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-5-(3-methyl-2H-indazol-5-yl)-2-(trifluoromethoxy)benzamide;4-(3-methyl-2H-indazol-5-yl)-N-[3-(3-methylphenyl)pyrrolidin-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 165006047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).