N-[(1S)-1-[3,5-bis[3-(methanesulfonamido)-1-methylindazol-7-yl]pyrazin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-[(4S,5R)-3-(difluoromethyl)-6,6-difluoro-4,5-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide

C41H39F6N11O5S2 — CID 134443737

IUPACN-[(1S)-1-[3,5-bis[3-(methanesulfonamido)-1-methylindazol-7-yl]pyrazin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-[(4S,5R)-3-(difluoromethyl)-6,6-difluoro-4,5-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide
SMILESC[C@@H]1c2c(C(F)F)nn(CC(=O)N[C@@H](Cc3cc(F)cc(F)c3)c3ncc(-c4cccc5c(NS(C)(=O)=O)nn(C)c45)nc3-c3cccc4c(NS(C)(=O)=O)nn(C)c34)c2C(F)(F)[C@@H]1C
InChIInChI=1S/C41H39F6N11O5S2/c1-19-20(2)41(46,47)37-31(19)34(38(44)45)51-58(37)18-30(59)49-28(15-21-13-22(42)16-23(43)14-21)33-32(25-10-8-12-27-36(25)57(4)53-40(27)55-65(6,62)63)50-29(17-48-33)24-9-7-11-26-35(24)56(3)52-39(26)54-64(5,60)61/h7-14,16-17,19-20,28,38H,15,18H2,1-6H3,(H,49,59)(H,52,54)(H,53,55)/t19-,20+,28-/m0/s1
InChIKeyIVNOXJDTRBIXKD-BCDQWZCSSA-N
MW943.96 g/mol
LogP6.68
Rot. Bonds13

About N-[(1S)-1-[3,5-bis[3-(methanesulfonamido)-1-methylindazol-7-yl]pyrazin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-[(4S,5R)-3-(difluoromethyl)-6,6-difluoro-4,5-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide

N-[(1S)-1-[3,5-bis[3-(methanesulfonamido)-1-methylindazol-7-yl]pyrazin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-[(4S,5R)-3-(difluoromethyl)-6,6-difluoro-4,5-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide (PubChem CID 134443737) has the molecular formula C41H39F6N11O5S2 and a molecular weight of 943.96 g/mol. Its IUPAC name is N-[(1S)-1-[3,5-bis[3-(methanesulfonamido)-1-methylindazol-7-yl]pyrazin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-[(4S,5R)-3-(difluoromethyl)-6,6-difluoro-4,5-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[3,5-bis[3-(methanesulfonamido)-1-methylindazol-7-yl]pyrazin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-[(4S,5R)-3-(difluoromethyl)-6,6-difluoro-4,5-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide
PubChem CID134443737
Molecular FormulaC41H39F6N11O5S2
Molecular Weight943.96 g/mol
Exact Mass943.25
IUPAC NameN-[(1S)-1-[3,5-bis[3-(methanesulfonamido)-1-methylindazol-7-yl]pyrazin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-[(4S,5R)-3-(difluoromethyl)-6,6-difluoro-4,5-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide
SMILESC[C@@H]1c2c(C(F)F)nn(CC(=O)N[C@@H](Cc3cc(F)cc(F)c3)c3ncc(-c4cccc5c(NS(C)(=O)=O)nn(C)c45)nc3-c3cccc4c(NS(C)(=O)=O)nn(C)c34)c2C(F)(F)[C@@H]1C
InChIInChI=1S/C41H39F6N11O5S2/c1-19-20(2)41(46,47)37-31(19)34(38(44)45)51-58(37)18-30(59)49-28(15-21-13-22(42)16-23(43)14-21)33-32(25-10-8-12-27-36(25)57(4)53-40(27)55-65(6,62)63)50-29(17-48-33)24-9-7-11-26-35(24)56(3)52-39(26)54-64(5,60)61/h7-14,16-17,19-20,28,38H,15,18H2,1-6H3,(H,49,59)(H,52,54)(H,53,55)/t19-,20+,28-/m0/s1
InChIKeyIVNOXJDTRBIXKD-BCDQWZCSSA-N
XLogP6.68
TPSA200.68 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500943.96
LogP ≤ 56.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze N-[(1S)-1-[3,5-bis[3-(methanesulfonamido)-1-methylindazol-7-yl]pyrazin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-[(4S,5R)-3-(difluoromethyl)-6,6-difluoro-4,5-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[3,5-bis[3-(methanesulfonamido)-1-methylindazol-7-yl]pyrazin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-[(4S,5R)-3-(difluoromethyl)-6,6-difluoro-4,5-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide?
The IUPAC name of N-[(1S)-1-[3,5-bis[3-(methanesulfonamido)-1-methylindazol-7-yl]pyrazin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-[(4S,5R)-3-(difluoromethyl)-6,6-difluoro-4,5-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide (CID 134443737) is N-[(1S)-1-[3,5-bis[3-(methanesulfonamido)-1-methylindazol-7-yl]pyrazin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-[(4S,5R)-3-(difluoromethyl)-6,6-difluoro-4,5-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[(1S)-1-[3,5-bis[3-(methanesulfonamido)-1-methylindazol-7-yl]pyrazin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-[(4S,5R)-3-(difluoromethyl)-6,6-difluoro-4,5-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide?
The canonical SMILES for N-[(1S)-1-[3,5-bis[3-(methanesulfonamido)-1-methylindazol-7-yl]pyrazin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-[(4S,5R)-3-(difluoromethyl)-6,6-difluoro-4,5-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide is C[C@@H]1c2c(C(F)F)nn(CC(=O)N[C@@H](Cc3cc(F)cc(F)c3)c3ncc(-c4cccc5c(NS(C)(=O)=O)nn(C)c45)nc3-c3cccc4c(NS(C)(=O)=O)nn(C)c34)c2C(F)(F)[C@@H]1C.
What is the InChIKey of N-[(1S)-1-[3,5-bis[3-(methanesulfonamido)-1-methylindazol-7-yl]pyrazin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-[(4S,5R)-3-(difluoromethyl)-6,6-difluoro-4,5-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide?
The InChIKey is IVNOXJDTRBIXKD-BCDQWZCSSA-N. The full InChI is InChI=1S/C41H39F6N11O5S2/c1-19-20(2)41(46,47)37-31(19)34(38(44)45)51-58(37)18-30(59)49-28(15-21-13-22(42)16-23(43)14-21)33-32(25-10-8-12-27-36(25)57(4)53-40(27)55-65(6,62)63)50-29(17-48-33)24-9-7-11-26-35(24)56(3)52-39(26)54-64(5,60)61/h7-14,16-17,19-20,28,38H,15,18H2,1-6H3,(H,49,59)(H,52,54)(H,53,55)/t19-,20+,28-/m0/s1.
What are the key properties of N-[(1S)-1-[3,5-bis[3-(methanesulfonamido)-1-methylindazol-7-yl]pyrazin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-[(4S,5R)-3-(difluoromethyl)-6,6-difluoro-4,5-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide?
N-[(1S)-1-[3,5-bis[3-(methanesulfonamido)-1-methylindazol-7-yl]pyrazin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-[(4S,5R)-3-(difluoromethyl)-6,6-difluoro-4,5-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide has a molecular weight of 943.96 g/mol, XLogP of 6.68, 13 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[3,5-bis[3-(methanesulfonamido)-1-methylindazol-7-yl]pyrazin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-[(4S,5R)-3-(difluoromethyl)-6,6-difluoro-4,5-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide is sourced from PubChem (CID 134443737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).