N-[4-[4-[[2-(dimethylamino)-2-oxoethyl]amino]cyclohexyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclohexan-1-one;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2-methylsulfonylethylamino)cyclohexyl]phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[1-(2-pyrrolidin-1-ylethoxy)cyclopentyl]-3-pyridinyl]-5-isocyano-3H-pyrrole-2-carboxamide;5-isocyano-N-[6-[1-(4-methylpiperazin-1-yl)cyclopentyl]-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-3H-pyrrole-2-carboxamide

C146H188N22O10S — CID 161408812

IUPACN-[4-[4-[[2-(dimethylamino)-2-oxoethyl]amino]cyclohexyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclohexan-1-one;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2-methylsulfonylethylamino)cyclohexyl]phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[1-(2-pyrrolidin-1-ylethoxy)cyclopentyl]-3-pyridinyl]-5-isocyano-3H-pyrrole-2-carboxamide;5-isocyano-N-[6-[1-(4-methylpiperazin-1-yl)cyclopentyl]-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-3H-pyrrole-2-carboxamide
SMILESCc1cnc(C(=O)Cc2ccc(C3CCC(=O)CC3)cc2C2=CCC(C)(C)CC2)[nH]1.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(C3(N4CCN(C)CC4)CCCC3)nc2C2=CCC3(CCCC3)CC2)=N1.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(C3(OCCN4CCCC4)CCCC3)nc2C2=CCC(C)(C)CC2)=N1.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(C3CCC(NCC(=O)N(C)C)CC3)cc2C2=CCC(C)(C)CC2)=N1.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(C3CCC(NCCS(C)(=O)=O)CC3)cc2C2=CCC(C)(C)CC2)=N1
InChIInChI=1S/C31H40N6O.2C30H39N5O2.C29H38N4O3S.C26H32N2O2/c1-32-27-10-8-25(33-27)29(38)34-24-7-9-26(31(15-5-6-16-31)37-21-19-36(2)20-22-37)35-28(24)23-11-17-30(18-12-23)13-3-4-14-30;1-29(2)16-12-22(13-17-29)27-23(33-28(36)24-9-11-26(31-3)32-24)8-10-25(34-27)30(14-4-5-15-30)37-21-20-35-18-6-7-19-35;1-30(2)16-14-21(15-17-30)24-18-22(20-6-9-23(10-7-20)32-19-28(36)35(4)5)8-11-25(24)34-29(37)26-12-13-27(31-3)33-26;1-29(2)15-13-21(14-16-29)24-19-22(20-5-8-23(9-6-20)31-17-18-37(4,35)36)7-10-25(24)33-28(34)26-11-12-27(30-3)32-26;1-17-16-27-25(28-17)24(30)15-21-5-4-20(18-6-8-22(29)9-7-18)14-23(21)19-10-12-26(2,3)13-11-19/h7,9-11H,3-6,8,12-22H2,2H3,(H,34,38);8,10-12H,4-7,9,13-21H2,1-2H3,(H,33,36);8,11,13-14,18,20,23,32H,6-7,9-10,12,15-17,19H2,1-2,4-5H3,(H,34,37);7,10,12-13,19-20,23,31H,5-6,8-9,11,14-18H2,1-2,4H3,(H,33,34);4-5,10,14,16,18H,6-9,11-13,15H2,1-3H3,(H,27,28)
InChIKeyVVEWSFJLLKQVCI-UHFFFAOYSA-N
MW2443.32 g/mol
LogP28.85
Rot. Bonds33

About N-[4-[4-[[2-(dimethylamino)-2-oxoethyl]amino]cyclohexyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclohexan-1-one;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2-methylsulfonylethylamino)cyclohexyl]phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[1-(2-pyrrolidin-1-ylethoxy)cyclopentyl]-3-pyridinyl]-5-isocyano-3H-pyrrole-2-carboxamide;5-isocyano-N-[6-[1-(4-methylpiperazin-1-yl)cyclopentyl]-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-3H-pyrrole-2-carboxamide

N-[4-[4-[[2-(dimethylamino)-2-oxoethyl]amino]cyclohexyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclohexan-1-one;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2-methylsulfonylethylamino)cyclohexyl]phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[1-(2-pyrrolidin-1-ylethoxy)cyclopentyl]-3-pyridinyl]-5-isocyano-3H-pyrrole-2-carboxamide;5-isocyano-N-[6-[1-(4-methylpiperazin-1-yl)cyclopentyl]-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-3H-pyrrole-2-carboxamide (PubChem CID 161408812) has the molecular formula C146H188N22O10S and a molecular weight of 2443.32 g/mol. Its IUPAC name is N-[4-[4-[[2-(dimethylamino)-2-oxoethyl]amino]cyclohexyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclohexan-1-one;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2-methylsulfonylethylamino)cyclohexyl]phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[1-(2-pyrrolidin-1-ylethoxy)cyclopentyl]-3-pyridinyl]-5-isocyano-3H-pyrrole-2-carboxamide;5-isocyano-N-[6-[1-(4-methylpiperazin-1-yl)cyclopentyl]-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-3H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-[[2-(dimethylamino)-2-oxoethyl]amino]cyclohexyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclohexan-1-one;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2-methylsulfonylethylamino)cyclohexyl]phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[1-(2-pyrrolidin-1-ylethoxy)cyclopentyl]-3-pyridinyl]-5-isocyano-3H-pyrrole-2-carboxamide;5-isocyano-N-[6-[1-(4-methylpiperazin-1-yl)cyclopentyl]-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-3H-pyrrole-2-carboxamide
PubChem CID161408812
Molecular FormulaC146H188N22O10S
Molecular Weight2443.32 g/mol
Exact Mass2441.46
IUPAC NameN-[4-[4-[[2-(dimethylamino)-2-oxoethyl]amino]cyclohexyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclohexan-1-one;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2-methylsulfonylethylamino)cyclohexyl]phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[1-(2-pyrrolidin-1-ylethoxy)cyclopentyl]-3-pyridinyl]-5-isocyano-3H-pyrrole-2-carboxamide;5-isocyano-N-[6-[1-(4-methylpiperazin-1-yl)cyclopentyl]-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-3H-pyrrole-2-carboxamide
SMILESCc1cnc(C(=O)Cc2ccc(C3CCC(=O)CC3)cc2C2=CCC(C)(C)CC2)[nH]1.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(C3(N4CCN(C)CC4)CCCC3)nc2C2=CCC3(CCCC3)CC2)=N1.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(C3(OCCN4CCCC4)CCCC3)nc2C2=CCC(C)(C)CC2)=N1.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(C3CCC(NCC(=O)N(C)C)CC3)cc2C2=CCC(C)(C)CC2)=N1.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(C3CCC(NCCS(C)(=O)=O)CC3)cc2C2=CCC(C)(C)CC2)=N1
InChIInChI=1S/C31H40N6O.2C30H39N5O2.C29H38N4O3S.C26H32N2O2/c1-32-27-10-8-25(33-27)29(38)34-24-7-9-26(31(15-5-6-16-31)37-21-19-36(2)20-22-37)35-28(24)23-11-17-30(18-12-23)13-3-4-14-30;1-29(2)16-12-22(13-17-29)27-23(33-28(36)24-9-11-26(31-3)32-24)8-10-25(34-27)30(14-4-5-15-30)37-21-20-35-18-6-7-19-35;1-30(2)16-14-21(15-17-30)24-18-22(20-6-9-23(10-7-20)32-19-28(36)35(4)5)8-11-25(24)34-29(37)26-12-13-27(31-3)33-26;1-29(2)15-13-21(14-16-29)24-19-22(20-5-8-23(9-6-20)31-17-18-37(4,35)36)7-10-25(24)33-28(34)26-11-12-27(30-3)32-26;1-17-16-27-25(28-17)24(30)15-21-5-4-20(18-6-8-22(29)9-7-18)14-23(21)19-10-12-26(2,3)13-11-19/h7,9-11H,3-6,8,12-22H2,2H3,(H,34,38);8,10-12H,4-7,9,13-21H2,1-2H3,(H,33,36);8,11,13-14,18,20,23,32H,6-7,9-10,12,15-17,19H2,1-2,4-5H3,(H,34,37);7,10,12-13,19-20,23,31H,5-6,8-9,11,14-18H2,1-2,4H3,(H,33,34);4-5,10,14,16,18H,6-9,11-13,15H2,1-3H3,(H,27,28)
InChIKeyVVEWSFJLLKQVCI-UHFFFAOYSA-N
XLogP28.85
TPSA369.34 Ų
H-Bond Donors7
H-Bond Acceptors22
Rotatable Bonds33
Heavy Atoms179
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002443.32
LogP ≤ 528.85
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze N-[4-[4-[[2-(dimethylamino)-2-oxoethyl]amino]cyclohexyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclohexan-1-one;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2-methylsulfonylethylamino)cyclohexyl]phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[1-(2-pyrrolidin-1-ylethoxy)cyclopentyl]-3-pyridinyl]-5-isocyano-3H-pyrrole-2-carboxamide;5-isocyano-N-[6-[1-(4-methylpiperazin-1-yl)cyclopentyl]-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-3H-pyrrole-2-carboxamide 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

N-[4-[4-[[2-(dimethylamino)-2-oxoethyl]amino]cyclohexyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2-methylsulfonylethylamino)cyclohexyl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-oxocyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[1-(2-pyrrolidin-1-ylethoxy)cyclopentyl]-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide
CID 158659737
N-[2-(cyclohexen-1-yl)-4-[2-(3-pyrrolidin-1-ylpropoxy)propan-2-yl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-morpholin-4-ylethoxy)propan-2-yl]phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[4-[3-(1,1-dioxo-1,4-thiazinan-4-yl)pentan-3-yl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-[2-(4-ethylpiperazin-1-yl)propan-2-yl]-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide
CID 158884264

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[[2-(dimethylamino)-2-oxoethyl]amino]cyclohexyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclohexan-1-one;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2-methylsulfonylethylamino)cyclohexyl]phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[1-(2-pyrrolidin-1-ylethoxy)cyclopentyl]-3-pyridinyl]-5-isocyano-3H-pyrrole-2-carboxamide;5-isocyano-N-[6-[1-(4-methylpiperazin-1-yl)cyclopentyl]-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-3H-pyrrole-2-carboxamide?
The IUPAC name of N-[4-[4-[[2-(dimethylamino)-2-oxoethyl]amino]cyclohexyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclohexan-1-one;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2-methylsulfonylethylamino)cyclohexyl]phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[1-(2-pyrrolidin-1-ylethoxy)cyclopentyl]-3-pyridinyl]-5-isocyano-3H-pyrrole-2-carboxamide;5-isocyano-N-[6-[1-(4-methylpiperazin-1-yl)cyclopentyl]-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-3H-pyrrole-2-carboxamide (CID 161408812) is N-[4-[4-[[2-(dimethylamino)-2-oxoethyl]amino]cyclohexyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclohexan-1-one;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2-methylsulfonylethylamino)cyclohexyl]phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[1-(2-pyrrolidin-1-ylethoxy)cyclopentyl]-3-pyridinyl]-5-isocyano-3H-pyrrole-2-carboxamide;5-isocyano-N-[6-[1-(4-methylpiperazin-1-yl)cyclopentyl]-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-3H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[4-[4-[[2-(dimethylamino)-2-oxoethyl]amino]cyclohexyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclohexan-1-one;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2-methylsulfonylethylamino)cyclohexyl]phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[1-(2-pyrrolidin-1-ylethoxy)cyclopentyl]-3-pyridinyl]-5-isocyano-3H-pyrrole-2-carboxamide;5-isocyano-N-[6-[1-(4-methylpiperazin-1-yl)cyclopentyl]-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-3H-pyrrole-2-carboxamide?
The canonical SMILES for N-[4-[4-[[2-(dimethylamino)-2-oxoethyl]amino]cyclohexyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclohexan-1-one;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2-methylsulfonylethylamino)cyclohexyl]phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[1-(2-pyrrolidin-1-ylethoxy)cyclopentyl]-3-pyridinyl]-5-isocyano-3H-pyrrole-2-carboxamide;5-isocyano-N-[6-[1-(4-methylpiperazin-1-yl)cyclopentyl]-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-3H-pyrrole-2-carboxamide is Cc1cnc(C(=O)Cc2ccc(C3CCC(=O)CC3)cc2C2=CCC(C)(C)CC2)[nH]1.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(C3(N4CCN(C)CC4)CCCC3)nc2C2=CCC3(CCCC3)CC2)=N1.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(C3(OCCN4CCCC4)CCCC3)nc2C2=CCC(C)(C)CC2)=N1.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(C3CCC(NCC(=O)N(C)C)CC3)cc2C2=CCC(C)(C)CC2)=N1.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(C3CCC(NCCS(C)(=O)=O)CC3)cc2C2=CCC(C)(C)CC2)=N1.
What is the InChIKey of N-[4-[4-[[2-(dimethylamino)-2-oxoethyl]amino]cyclohexyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclohexan-1-one;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2-methylsulfonylethylamino)cyclohexyl]phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[1-(2-pyrrolidin-1-ylethoxy)cyclopentyl]-3-pyridinyl]-5-isocyano-3H-pyrrole-2-carboxamide;5-isocyano-N-[6-[1-(4-methylpiperazin-1-yl)cyclopentyl]-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-3H-pyrrole-2-carboxamide?
The InChIKey is VVEWSFJLLKQVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40N6O.2C30H39N5O2.C29H38N4O3S.C26H32N2O2/c1-32-27-10-8-25(33-27)29(38)34-24-7-9-26(31(15-5-6-16-31)37-21-19-36(2)20-22-37)35-28(24)23-11-17-30(18-12-23)13-3-4-14-30;1-29(2)16-12-22(13-17-29)27-23(33-28(36)24-9-11-26(31-3)32-24)8-10-25(34-27)30(14-4-5-15-30)37-21-20-35-18-6-7-19-35;1-30(2)16-14-21(15-17-30)24-18-22(20-6-9-23(10-7-20)32-19-28(36)35(4)5)8-11-25(24)34-29(37)26-12-13-27(31-3)33-26;1-29(2)15-13-21(14-16-29)24-19-22(20-5-8-23(9-6-20)31-17-18-37(4,35)36)7-10-25(24)33-28(34)26-11-12-27(30-3)32-26;1-17-16-27-25(28-17)24(30)15-21-5-4-20(18-6-8-22(29)9-7-18)14-23(21)19-10-12-26(2,3)13-11-19/h7,9-11H,3-6,8,12-22H2,2H3,(H,34,38);8,10-12H,4-7,9,13-21H2,1-2H3,(H,33,36);8,11,13-14,18,20,23,32H,6-7,9-10,12,15-17,19H2,1-2,4-5H3,(H,34,37);7,10,12-13,19-20,23,31H,5-6,8-9,11,14-18H2,1-2,4H3,(H,33,34);4-5,10,14,16,18H,6-9,11-13,15H2,1-3H3,(H,27,28).
What are the key properties of N-[4-[4-[[2-(dimethylamino)-2-oxoethyl]amino]cyclohexyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclohexan-1-one;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2-methylsulfonylethylamino)cyclohexyl]phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[1-(2-pyrrolidin-1-ylethoxy)cyclopentyl]-3-pyridinyl]-5-isocyano-3H-pyrrole-2-carboxamide;5-isocyano-N-[6-[1-(4-methylpiperazin-1-yl)cyclopentyl]-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-3H-pyrrole-2-carboxamide?
N-[4-[4-[[2-(dimethylamino)-2-oxoethyl]amino]cyclohexyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclohexan-1-one;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2-methylsulfonylethylamino)cyclohexyl]phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[1-(2-pyrrolidin-1-ylethoxy)cyclopentyl]-3-pyridinyl]-5-isocyano-3H-pyrrole-2-carboxamide;5-isocyano-N-[6-[1-(4-methylpiperazin-1-yl)cyclopentyl]-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-3H-pyrrole-2-carboxamide has a molecular weight of 2443.32 g/mol, XLogP of 28.85, 33 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[[2-(dimethylamino)-2-oxoethyl]amino]cyclohexyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclohexan-1-one;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2-methylsulfonylethylamino)cyclohexyl]phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[1-(2-pyrrolidin-1-ylethoxy)cyclopentyl]-3-pyridinyl]-5-isocyano-3H-pyrrole-2-carboxamide;5-isocyano-N-[6-[1-(4-methylpiperazin-1-yl)cyclopentyl]-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-3H-pyrrole-2-carboxamide is sourced from PubChem (CID 161408812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).