N-[(1S)-1-[3-(4-chloro-3-fluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-naphthalen-2-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-methoxynaphthalen-2-yl)-2-pyridinyl]ethyl]acetamide — IUPAC name, SMILES, InChIKey & properties

Name: N-[(1S)-1-[3-(4-chloro-3-fluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-naphthalen-2-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-methoxynaphthalen-2-yl)-2-pyridinyl]ethyl]acetamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About N-[(1S)-1-[3-(4-chloro-3-fluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-naphthalen-2-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-methoxynaphthalen-2-yl)-2-pyridinyl]ethyl]acetamide

N-[(1S)-1-[3-(4-chloro-3-fluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-naphthalen-2-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-methoxynaphthalen-2-yl)-2-pyridinyl]ethyl]acetamide (PubChem CID 157177715) has the molecular formula C98H76ClF11N10O4 and a molecular weight of 1702.18 g/mol. Its IUPAC name is N-[(1S)-1-[3-(4-chloro-3-fluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-naphthalen-2-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-methoxynaphthalen-2-yl)-2-pyridinyl]ethyl]acetamide.

Molecular Properties

Compound Name	N-[(1S)-1-[3-(4-chloro-3-fluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-naphthalen-2-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-methoxynaphthalen-2-yl)-2-pyridinyl]ethyl]acetamide
PubChem CID	157177715
Molecular Formula	C98H76ClF11N10O4
Molecular Weight	1702.18 g/mol
Exact Mass	1700.56
IUPAC Name	N-[(1S)-1-[3-(4-chloro-3-fluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-naphthalen-2-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-methoxynaphthalen-2-yl)-2-pyridinyl]ethyl]acetamide
SMILES	COc1ccc2cc(-c3cccnc3[C@H](Cc3cc(C)cc(F)c3)NC(=O)Cc3c[nH]c4ccc(F)cc34)ccc2c1.Cc1cc(F)cc(C[C@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)c2ncccc2-c2ccc(Cl)c(F)c2)c1.O=C(Cn1nc(C(F)F)c2c1C(F)(F)C1CC21)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc2ccccc2c1
InChI	InChI=1S/C35H29F2N3O2.C33H24F6N4O.C30H23ClF3N3O/c1-21-12-22(14-28(37)13-21)15-33(40-34(41)18-26-20-39-32-10-8-27(36)19-31(26)32)35-30(4-3-11-38-35)25-6-5-24-17-29(42-2)9-7-23(24)16-25;34-21-10-17(11-22(35)14-21)12-26(29-23(6-3-9-40-29)20-8-7-18-4-1-2-5-19(18)13-20)41-27(44)16-43-31-28(30(42-43)32(36)37)24-15-25(24)33(31,38)39;1-17-9-18(11-22(33)10-17)12-28(30-23(3-2-8-35-30)19-4-6-25(31)26(34)13-19)37-29(38)14-20-16-36-27-7-5-21(32)15-24(20)27/h3-14,16-17,19-20,33,39H,15,18H2,1-2H3,(H,40,41);1-11,13-14,24-26,32H,12,15-16H2,(H,41,44);2-11,13,15-16,28,36H,12,14H2,1H3,(H,37,38)/t33-;24?,25?,26-;28-/m000/s1
InChIKey	AOFBIKURELZECM-CKRVLFPOSA-N
XLogP	22.50
TPSA	184.60 Å²
H-Bond Donors	5
H-Bond Acceptors	9
Rotatable Bonds	23
Heavy Atoms	124
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1702.18
LogP ≤ 5	22.50
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Analyze N-[(1S)-1-[3-(4-chloro-3-fluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-naphthalen-2-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-methoxynaphthalen-2-yl)-2-pyridinyl]ethyl]acetamide 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 N-[(1S)-1-[3-(4-chloro-3-fluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-naphthalen-2-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-methoxynaphthalen-2-yl)-2-pyridinyl]ethyl]acetamide?

The IUPAC name of N-[(1S)-1-[3-(4-chloro-3-fluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-naphthalen-2-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-methoxynaphthalen-2-yl)-2-pyridinyl]ethyl]acetamide (CID 157177715) is N-[(1S)-1-[3-(4-chloro-3-fluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-naphthalen-2-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-methoxynaphthalen-2-yl)-2-pyridinyl]ethyl]acetamide.

What is the SMILES notation for N-[(1S)-1-[3-(4-chloro-3-fluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-naphthalen-2-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-methoxynaphthalen-2-yl)-2-pyridinyl]ethyl]acetamide?

The canonical SMILES for N-[(1S)-1-[3-(4-chloro-3-fluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-naphthalen-2-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-methoxynaphthalen-2-yl)-2-pyridinyl]ethyl]acetamide is COc1ccc2cc(-c3cccnc3[C@H](Cc3cc(C)cc(F)c3)NC(=O)Cc3c[nH]c4ccc(F)cc34)ccc2c1.Cc1cc(F)cc(C[C@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)c2ncccc2-c2ccc(Cl)c(F)c2)c1.O=C(Cn1nc(C(F)F)c2c1C(F)(F)C1CC21)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc2ccccc2c1.

What is the InChIKey of N-[(1S)-1-[3-(4-chloro-3-fluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-naphthalen-2-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-methoxynaphthalen-2-yl)-2-pyridinyl]ethyl]acetamide?

The InChIKey is AOFBIKURELZECM-CKRVLFPOSA-N. The full InChI is InChI=1S/C35H29F2N3O2.C33H24F6N4O.C30H23ClF3N3O/c1-21-12-22(14-28(37)13-21)15-33(40-34(41)18-26-20-39-32-10-8-27(36)19-31(26)32)35-30(4-3-11-38-35)25-6-5-24-17-29(42-2)9-7-23(24)16-25;34-21-10-17(11-22(35)14-21)12-26(29-23(6-3-9-40-29)20-8-7-18-4-1-2-5-19(18)13-20)41-27(44)16-43-31-28(30(42-43)32(36)37)24-15-25(24)33(31,38)39;1-17-9-18(11-22(33)10-17)12-28(30-23(3-2-8-35-30)19-4-6-25(31)26(34)13-19)37-29(38)14-20-16-36-27-7-5-21(32)15-24(20)27/h3-14,16-17,19-20,33,39H,15,18H2,1-2H3,(H,40,41);1-11,13-14,24-26,32H,12,15-16H2,(H,41,44);2-11,13,15-16,28,36H,12,14H2,1H3,(H,37,38)/t33-;24?,25?,26-;28-/m000/s1.

What are the key properties of N-[(1S)-1-[3-(4-chloro-3-fluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-naphthalen-2-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-methoxynaphthalen-2-yl)-2-pyridinyl]ethyl]acetamide?

Where does this data come from?

All data for N-[(1S)-1-[3-(4-chloro-3-fluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-naphthalen-2-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-methoxynaphthalen-2-yl)-2-pyridinyl]ethyl]acetamide is sourced from PubChem (CID 157177715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).