N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(2-methylbutanoyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(2-methylpropanoyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(oxan-4-ylmethyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide

C123H144F8N16O7 — CID 157228352

IUPACN-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(2-methylbutanoyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(2-methylpropanoyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(oxan-4-ylmethyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide
SMILESCCc1cccc(CC)c1-n1nc2c(c1-c1cc(F)c(NC(C)=O)cc1F)CN(C(=O)C(C)C)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1cc(F)c(NC(C)=O)cc1F)CN(C(=O)C(C)CC)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1cc(F)c(NC(C)=O)cc1F)CN(CC1CCOCC1)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1cc(F)c(NC(C)=O)cc1F)CN(Cc1ccccc1C)C2(C)C
InChIInChI=1S/C33H36F2N4O.C31H38F2N4O2.C30H36F2N4O2.C29H34F2N4O2/c1-7-22-14-11-15-23(8-2)30(22)39-31(25-16-28(35)29(17-27(25)34)36-21(4)40)26-19-38(33(5,6)32(26)37-39)18-24-13-10-9-12-20(24)3;1-6-21-9-8-10-22(7-2)28(21)37-29(23-15-26(33)27(16-25(23)32)34-19(3)38)24-18-36(31(4,5)30(24)35-37)17-20-11-13-39-14-12-20;1-8-17(4)29(38)35-16-22-27(21-14-24(32)25(15-23(21)31)33-18(5)37)36(34-28(22)30(35,6)7)26-19(9-2)12-11-13-20(26)10-3;1-8-18-11-10-12-19(9-2)25(18)35-26(20-13-23(31)24(14-22(20)30)32-17(5)36)21-15-34(28(37)16(3)4)29(6,7)27(21)33-35/h9-17H,7-8,18-19H2,1-6H3,(H,36,40);8-10,15-16,20H,6-7,11-14,17-18H2,1-5H3,(H,34,38);11-15,17H,8-10,16H2,1-7H3,(H,33,37);10-14,16H,8-9,15H2,1-7H3,(H,32,36)
InChIKeyATUVZBZWHVHBGS-UHFFFAOYSA-N
MW2110.59 g/mol
LogP26.50
Rot. Bonds27

About N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(2-methylbutanoyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(2-methylpropanoyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(oxan-4-ylmethyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide

N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(2-methylbutanoyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(2-methylpropanoyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(oxan-4-ylmethyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide (PubChem CID 157228352) has the molecular formula C123H144F8N16O7 and a molecular weight of 2110.59 g/mol. Its IUPAC name is N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(2-methylbutanoyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(2-methylpropanoyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(oxan-4-ylmethyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(2-methylbutanoyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(2-methylpropanoyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(oxan-4-ylmethyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide
PubChem CID157228352
Molecular FormulaC123H144F8N16O7
Molecular Weight2110.59 g/mol
Exact Mass2109.13
IUPAC NameN-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(2-methylbutanoyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(2-methylpropanoyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(oxan-4-ylmethyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide
SMILESCCc1cccc(CC)c1-n1nc2c(c1-c1cc(F)c(NC(C)=O)cc1F)CN(C(=O)C(C)C)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1cc(F)c(NC(C)=O)cc1F)CN(C(=O)C(C)CC)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1cc(F)c(NC(C)=O)cc1F)CN(CC1CCOCC1)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1cc(F)c(NC(C)=O)cc1F)CN(Cc1ccccc1C)C2(C)C
InChIInChI=1S/C33H36F2N4O.C31H38F2N4O2.C30H36F2N4O2.C29H34F2N4O2/c1-7-22-14-11-15-23(8-2)30(22)39-31(25-16-28(35)29(17-27(25)34)36-21(4)40)26-19-38(33(5,6)32(26)37-39)18-24-13-10-9-12-20(24)3;1-6-21-9-8-10-22(7-2)28(21)37-29(23-15-26(33)27(16-25(23)32)34-19(3)38)24-18-36(31(4,5)30(24)35-37)17-20-11-13-39-14-12-20;1-8-17(4)29(38)35-16-22-27(21-14-24(32)25(15-23(21)31)33-18(5)37)36(34-28(22)30(35,6)7)26-19(9-2)12-11-13-20(26)10-3;1-8-18-11-10-12-19(9-2)25(18)35-26(20-13-23(31)24(14-22(20)30)32-17(5)36)21-15-34(28(37)16(3)4)29(6,7)27(21)33-35/h9-17H,7-8,18-19H2,1-6H3,(H,36,40);8-10,15-16,20H,6-7,11-14,17-18H2,1-5H3,(H,34,38);11-15,17H,8-10,16H2,1-7H3,(H,33,37);10-14,16H,8-9,15H2,1-7H3,(H,32,36)
InChIKeyATUVZBZWHVHBGS-UHFFFAOYSA-N
XLogP26.50
TPSA244.01 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds27
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002110.59
LogP ≤ 526.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Analyze N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(2-methylbutanoyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(2-methylpropanoyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(oxan-4-ylmethyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(2-methylbutanoyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(2-methylpropanoyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(oxan-4-ylmethyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide?
The IUPAC name of N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(2-methylbutanoyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(2-methylpropanoyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(oxan-4-ylmethyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide (CID 157228352) is N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(2-methylbutanoyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(2-methylpropanoyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(oxan-4-ylmethyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide.
What is the SMILES notation for N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(2-methylbutanoyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(2-methylpropanoyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(oxan-4-ylmethyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide?
The canonical SMILES for N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(2-methylbutanoyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(2-methylpropanoyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(oxan-4-ylmethyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide is CCc1cccc(CC)c1-n1nc2c(c1-c1cc(F)c(NC(C)=O)cc1F)CN(C(=O)C(C)C)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1cc(F)c(NC(C)=O)cc1F)CN(C(=O)C(C)CC)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1cc(F)c(NC(C)=O)cc1F)CN(CC1CCOCC1)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1cc(F)c(NC(C)=O)cc1F)CN(Cc1ccccc1C)C2(C)C.
What is the InChIKey of N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(2-methylbutanoyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(2-methylpropanoyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(oxan-4-ylmethyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide?
The InChIKey is ATUVZBZWHVHBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36F2N4O.C31H38F2N4O2.C30H36F2N4O2.C29H34F2N4O2/c1-7-22-14-11-15-23(8-2)30(22)39-31(25-16-28(35)29(17-27(25)34)36-21(4)40)26-19-38(33(5,6)32(26)37-39)18-24-13-10-9-12-20(24)3;1-6-21-9-8-10-22(7-2)28(21)37-29(23-15-26(33)27(16-25(23)32)34-19(3)38)24-18-36(31(4,5)30(24)35-37)17-20-11-13-39-14-12-20;1-8-17(4)29(38)35-16-22-27(21-14-24(32)25(15-23(21)31)33-18(5)37)36(34-28(22)30(35,6)7)26-19(9-2)12-11-13-20(26)10-3;1-8-18-11-10-12-19(9-2)25(18)35-26(20-13-23(31)24(14-22(20)30)32-17(5)36)21-15-34(28(37)16(3)4)29(6,7)27(21)33-35/h9-17H,7-8,18-19H2,1-6H3,(H,36,40);8-10,15-16,20H,6-7,11-14,17-18H2,1-5H3,(H,34,38);11-15,17H,8-10,16H2,1-7H3,(H,33,37);10-14,16H,8-9,15H2,1-7H3,(H,32,36).
What are the key properties of N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(2-methylbutanoyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(2-methylpropanoyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(oxan-4-ylmethyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide?
N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(2-methylbutanoyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(2-methylpropanoyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(oxan-4-ylmethyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide has a molecular weight of 2110.59 g/mol, XLogP of 26.50, 27 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(2-methylbutanoyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(2-methylpropanoyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(oxan-4-ylmethyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide is sourced from PubChem (CID 157228352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).