N-[4-[1-(dimethylamino)cyclobutyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-[1-[2-(dimethylamino)ethoxy]cyclopentyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-imidazol-1-ylethoxy)cyclohexyl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(4-methylpiperazin-1-yl)cyclobutyl]phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[4-[1-(4-ethylpiperazin-1-yl)cyclopentyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide

C148H187N27O7 — CID 157335185

IUPACN-[4-[1-(dimethylamino)cyclobutyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-[1-[2-(dimethylamino)ethoxy]cyclopentyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-imidazol-1-ylethoxy)cyclohexyl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(4-methylpiperazin-1-yl)cyclobutyl]phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[4-[1-(4-ethylpiperazin-1-yl)cyclopentyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide
SMILES[C-]#[N+]c1c[nH]c(C(=O)Nc2ccc(C3(N4CCN(C)CC4)CCC3)cc2C2=CCC(C)(C)CC2)c1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C3(N(C)C)CCC3)cc2C2=CCC3(CCCC3)CC2)[nH]1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C3(N4CCN(CC)CC4)CCCC3)cc2C2=CCC3(CCCC3)CC2)[nH]1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C3(OCCN(C)C)CCCC3)cc2C2=CCC3(CCCC3)CC2)[nH]1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C3(OCCn4ccnc4)CCCCC3)cc2C2=CCC(C)(C)CC2)[nH]1
InChIInChI=1S/C32H42N6O.C30H36N6O2.C30H39N5O2.C29H37N5O.C27H33N5O/c1-3-37-18-20-38(21-19-37)32(14-6-7-15-32)25-8-9-27(35-30(39)29-34-23-28(33-2)36-29)26(22-25)24-10-16-31(17-11-24)12-4-5-13-31;1-29(2)13-9-22(10-14-29)24-19-23(7-8-25(24)34-28(37)27-33-20-26(31-3)35-27)30(11-5-4-6-12-30)38-18-17-36-16-15-32-21-36;1-31-26-21-32-27(34-26)28(36)33-25-9-8-23(30(14-6-7-15-30)37-19-18-35(2)3)20-24(25)22-10-16-29(17-11-22)12-4-5-13-29;1-28(2)12-8-21(9-13-28)24-18-22(29(10-5-11-29)34-16-14-33(4)15-17-34)6-7-25(24)32-27(35)26-19-23(30-3)20-31-26;1-28-23-18-29-24(31-23)25(33)30-22-8-7-20(27(32(2)3)13-6-14-27)17-21(22)19-9-15-26(16-10-19)11-4-5-12-26/h8-10,22-23H,3-7,11-21H2,1H3,(H,34,36)(H,35,39);7-9,15-16,19-21H,4-6,10-14,17-18H2,1-2H3,(H,33,35)(H,34,37);8-10,20-21H,4-7,11-19H2,2-3H3,(H,32,34)(H,33,36);6-8,18-20,31H,5,9-17H2,1-2,4H3,(H,32,35);7-9,17-18H,4-6,10-16H2,2-3H3,(H,29,31)(H,30,33)
InChIKeyBFTHPOVCIXYTIW-UHFFFAOYSA-N
MW2456.31 g/mol
LogP32.63
Rot. Bonds32

About N-[4-[1-(dimethylamino)cyclobutyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-[1-[2-(dimethylamino)ethoxy]cyclopentyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-imidazol-1-ylethoxy)cyclohexyl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(4-methylpiperazin-1-yl)cyclobutyl]phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[4-[1-(4-ethylpiperazin-1-yl)cyclopentyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide

N-[4-[1-(dimethylamino)cyclobutyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-[1-[2-(dimethylamino)ethoxy]cyclopentyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-imidazol-1-ylethoxy)cyclohexyl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(4-methylpiperazin-1-yl)cyclobutyl]phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[4-[1-(4-ethylpiperazin-1-yl)cyclopentyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide (PubChem CID 157335185) has the molecular formula C148H187N27O7 and a molecular weight of 2456.31 g/mol. Its IUPAC name is N-[4-[1-(dimethylamino)cyclobutyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-[1-[2-(dimethylamino)ethoxy]cyclopentyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-imidazol-1-ylethoxy)cyclohexyl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(4-methylpiperazin-1-yl)cyclobutyl]phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[4-[1-(4-ethylpiperazin-1-yl)cyclopentyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(dimethylamino)cyclobutyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-[1-[2-(dimethylamino)ethoxy]cyclopentyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-imidazol-1-ylethoxy)cyclohexyl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(4-methylpiperazin-1-yl)cyclobutyl]phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[4-[1-(4-ethylpiperazin-1-yl)cyclopentyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide
PubChem CID157335185
Molecular FormulaC148H187N27O7
Molecular Weight2456.31 g/mol
Exact Mass2454.51
IUPAC NameN-[4-[1-(dimethylamino)cyclobutyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-[1-[2-(dimethylamino)ethoxy]cyclopentyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-imidazol-1-ylethoxy)cyclohexyl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(4-methylpiperazin-1-yl)cyclobutyl]phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[4-[1-(4-ethylpiperazin-1-yl)cyclopentyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide
SMILES[C-]#[N+]c1c[nH]c(C(=O)Nc2ccc(C3(N4CCN(C)CC4)CCC3)cc2C2=CCC(C)(C)CC2)c1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C3(N(C)C)CCC3)cc2C2=CCC3(CCCC3)CC2)[nH]1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C3(N4CCN(CC)CC4)CCCC3)cc2C2=CCC3(CCCC3)CC2)[nH]1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C3(OCCN(C)C)CCCC3)cc2C2=CCC3(CCCC3)CC2)[nH]1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C3(OCCn4ccnc4)CCCCC3)cc2C2=CCC(C)(C)CC2)[nH]1
InChIInChI=1S/C32H42N6O.C30H36N6O2.C30H39N5O2.C29H37N5O.C27H33N5O/c1-3-37-18-20-38(21-19-37)32(14-6-7-15-32)25-8-9-27(35-30(39)29-34-23-28(33-2)36-29)26(22-25)24-10-16-31(17-11-24)12-4-5-13-31;1-29(2)13-9-22(10-14-29)24-19-23(7-8-25(24)34-28(37)27-33-20-26(31-3)35-27)30(11-5-4-6-12-30)38-18-17-36-16-15-32-21-36;1-31-26-21-32-27(34-26)28(36)33-25-9-8-23(30(14-6-7-15-30)37-19-18-35(2)3)20-24(25)22-10-16-29(17-11-22)12-4-5-13-29;1-28(2)12-8-21(9-13-28)24-18-22(29(10-5-11-29)34-16-14-33(4)15-17-34)6-7-25(24)32-27(35)26-19-23(30-3)20-31-26;1-28-23-18-29-24(31-23)25(33)30-22-8-7-20(27(32(2)3)13-6-14-27)17-21(22)19-9-15-26(16-10-19)11-4-5-12-26/h8-10,22-23H,3-7,11-21H2,1H3,(H,34,36)(H,35,39);7-9,15-16,19-21H,4-6,10-14,17-18H2,1-2H3,(H,33,35)(H,34,37);8-10,20-21H,4-7,11-19H2,2-3H3,(H,32,34)(H,33,36);6-8,18-20,31H,5,9-17H2,1-2,4H3,(H,32,35);7-9,17-18H,4-6,10-16H2,2-3H3,(H,29,31)(H,30,33)
InChIKeyBFTHPOVCIXYTIW-UHFFFAOYSA-N
XLogP32.63
TPSA353.53 Ų
H-Bond Donors10
H-Bond Acceptors19
Rotatable Bonds32
Heavy Atoms182
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002456.31
LogP ≤ 532.63
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze N-[4-[1-(dimethylamino)cyclobutyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-[1-[2-(dimethylamino)ethoxy]cyclopentyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-imidazol-1-ylethoxy)cyclohexyl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(4-methylpiperazin-1-yl)cyclobutyl]phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[4-[1-(4-ethylpiperazin-1-yl)cyclopentyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[4-[2-(2-acetamidoethylamino)propan-2-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-hydroxyethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[4-(2-methoxyethyl)piperazin-1-yl]propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-pyrrolidin-1-ylethoxy)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;ethyl 2-[4-[2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]propan-2-yl]piperazin-1-yl]acetate
CID 157145051
N-[4-[1-[2-(dimethylamino)ethoxy]cyclobutyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-[1-[2-(dimethylamino)ethoxy]cyclobutyl]-2-(4-methylpiperidin-1-yl)phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]cyclopentane-1-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-morpholin-4-ylcyclopentyl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-morpholin-4-ylcyclopentyl)phenyl]-4-isocyano-1H-pyrrole-2-carboxamide
CID 157239321
N-[4-[2-[2-(dimethylamino)ethoxy]propan-2-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-morpholin-4-ylethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;hydrochloride
CID 157266427
N-[4-[2-[2-(dimethylamino)ethoxy]propan-2-yl]-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-[2-[2-(dimethylamino)ethoxy]propan-2-yl]-2-(4-methylpiperidin-1-yl)phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[4-[1-(dimethylamino)ethyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-imidazol-1-ylethoxy)propyl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-[1-(4-ethylpiperazin-1-yl)ethyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide
CID 157439144
5-cyano-N-[4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide;N-[4-[2-[2-(dimethylamino)ethoxy]propan-2-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[(5-methyl-1H-imidazole-2-carbonyl)amino]-2-pyridinyl]acetic acid;2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[(4-methyl-1H-pyrrole-2-carbonyl)amino]-2-pyridinyl]acetic acid;ethyl 2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[(4-methyl-1H-pyrrole-2-carbonyl)amino]-2-pyridinyl]acetate
CID 158422193
5-cyano-N-[4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide;N-[4-[2-[2-(dimethylamino)ethoxy]propan-2-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(3-hydroxypropylamino)-2-oxoethyl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[(4-methyl-1H-pyrrole-2-carbonyl)amino]-2-pyridinyl]acetic acid;ethyl 2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[(4-methyl-1H-pyrrole-2-carbonyl)amino]-2-pyridinyl]acetate
CID 158594470
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
5-(3-benzylpyrrolidin-3-yl)-N,N-dimethyl-1H-indole-2-carboxamide;5-(3-benzylpyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3-butylpyrrolidin-3-yl)-1H-indole;ethyl 5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carboxylate;5-(3-propylpyrrolidin-3-yl)-1H-indole
CID 159082798
N-[4-[1-(dimethylamino)cyclobutyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-3H-pyrrole-2-carboxamide;N-[4-[1-[2-(dimethylamino)ethoxy]cyclopentyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-3H-pyrrole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-imidazol-1-ylethoxy)cyclohexyl]phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(4-methylpiperazin-1-yl)cyclobutyl]phenyl]-3-isocyanocyclopenta-1,3-diene-1-carboxamide;N-[4-[1-(4-ethylpiperazin-1-yl)cyclopentyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-3H-pyrrole-2-carboxamide
CID 159889570
N-[4-[2-(4-acetylpiperazin-1-yl)propan-2-yl]-2-(4,4-dimethylcyclohexen-1-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]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-pyrrolidin-1-ylethoxy)propan-2-yl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-pyrrolidin-1-ylethoxy)propan-2-yl]phenyl]-4-isocyano-1H-pyrrole-2-carboxamide
CID 160115241
N-[4-[1-[2-(dimethylamino)ethoxy]ethyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;bis((E)-3-[5-[(5-isocyano-1H-imidazole-2-carbonyl)amino]-6-(4-methylpiperidin-1-yl)-2-pyridinyl]prop-2-enoic acid);(E)-3-[4-[(4-isocyano-1H-pyrrole-2-carbonyl)amino]-3-(4-methylpiperidin-1-yl)phenyl]prop-2-enoic acid
CID 160658266
N-[2-(cyclohexen-1-yl)-6-[2-(2-pyrrolidin-1-ylethoxy)propan-2-yl]-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-diethylcyclohexen-1-yl)-6-[2-[3-(dimethylamino)propoxy]propan-2-yl]-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(2-morpholin-4-ylethylamino)propan-2-yl]-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide;(E)-3-[5-[(4-isocyano-1H-pyrrole-2-carbonyl)amino]-6-(4-methylpiperidin-1-yl)-2-pyridinyl]prop-2-enoic acid
CID 161378197

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(dimethylamino)cyclobutyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-[1-[2-(dimethylamino)ethoxy]cyclopentyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-imidazol-1-ylethoxy)cyclohexyl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(4-methylpiperazin-1-yl)cyclobutyl]phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[4-[1-(4-ethylpiperazin-1-yl)cyclopentyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide?
The IUPAC name of N-[4-[1-(dimethylamino)cyclobutyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-[1-[2-(dimethylamino)ethoxy]cyclopentyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-imidazol-1-ylethoxy)cyclohexyl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(4-methylpiperazin-1-yl)cyclobutyl]phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[4-[1-(4-ethylpiperazin-1-yl)cyclopentyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide (CID 157335185) is N-[4-[1-(dimethylamino)cyclobutyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-[1-[2-(dimethylamino)ethoxy]cyclopentyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-imidazol-1-ylethoxy)cyclohexyl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(4-methylpiperazin-1-yl)cyclobutyl]phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[4-[1-(4-ethylpiperazin-1-yl)cyclopentyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[4-[1-(dimethylamino)cyclobutyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-[1-[2-(dimethylamino)ethoxy]cyclopentyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-imidazol-1-ylethoxy)cyclohexyl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(4-methylpiperazin-1-yl)cyclobutyl]phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[4-[1-(4-ethylpiperazin-1-yl)cyclopentyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[4-[1-(dimethylamino)cyclobutyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-[1-[2-(dimethylamino)ethoxy]cyclopentyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-imidazol-1-ylethoxy)cyclohexyl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(4-methylpiperazin-1-yl)cyclobutyl]phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[4-[1-(4-ethylpiperazin-1-yl)cyclopentyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide is [C-]#[N+]c1c[nH]c(C(=O)Nc2ccc(C3(N4CCN(C)CC4)CCC3)cc2C2=CCC(C)(C)CC2)c1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C3(N(C)C)CCC3)cc2C2=CCC3(CCCC3)CC2)[nH]1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C3(N4CCN(CC)CC4)CCCC3)cc2C2=CCC3(CCCC3)CC2)[nH]1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C3(OCCN(C)C)CCCC3)cc2C2=CCC3(CCCC3)CC2)[nH]1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C3(OCCn4ccnc4)CCCCC3)cc2C2=CCC(C)(C)CC2)[nH]1.
What is the InChIKey of N-[4-[1-(dimethylamino)cyclobutyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-[1-[2-(dimethylamino)ethoxy]cyclopentyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-imidazol-1-ylethoxy)cyclohexyl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(4-methylpiperazin-1-yl)cyclobutyl]phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[4-[1-(4-ethylpiperazin-1-yl)cyclopentyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide?
The InChIKey is BFTHPOVCIXYTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N6O.C30H36N6O2.C30H39N5O2.C29H37N5O.C27H33N5O/c1-3-37-18-20-38(21-19-37)32(14-6-7-15-32)25-8-9-27(35-30(39)29-34-23-28(33-2)36-29)26(22-25)24-10-16-31(17-11-24)12-4-5-13-31;1-29(2)13-9-22(10-14-29)24-19-23(7-8-25(24)34-28(37)27-33-20-26(31-3)35-27)30(11-5-4-6-12-30)38-18-17-36-16-15-32-21-36;1-31-26-21-32-27(34-26)28(36)33-25-9-8-23(30(14-6-7-15-30)37-19-18-35(2)3)20-24(25)22-10-16-29(17-11-22)12-4-5-13-29;1-28(2)12-8-21(9-13-28)24-18-22(29(10-5-11-29)34-16-14-33(4)15-17-34)6-7-25(24)32-27(35)26-19-23(30-3)20-31-26;1-28-23-18-29-24(31-23)25(33)30-22-8-7-20(27(32(2)3)13-6-14-27)17-21(22)19-9-15-26(16-10-19)11-4-5-12-26/h8-10,22-23H,3-7,11-21H2,1H3,(H,34,36)(H,35,39);7-9,15-16,19-21H,4-6,10-14,17-18H2,1-2H3,(H,33,35)(H,34,37);8-10,20-21H,4-7,11-19H2,2-3H3,(H,32,34)(H,33,36);6-8,18-20,31H,5,9-17H2,1-2,4H3,(H,32,35);7-9,17-18H,4-6,10-16H2,2-3H3,(H,29,31)(H,30,33).
What are the key properties of N-[4-[1-(dimethylamino)cyclobutyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-[1-[2-(dimethylamino)ethoxy]cyclopentyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-imidazol-1-ylethoxy)cyclohexyl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(4-methylpiperazin-1-yl)cyclobutyl]phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[4-[1-(4-ethylpiperazin-1-yl)cyclopentyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide?
N-[4-[1-(dimethylamino)cyclobutyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-[1-[2-(dimethylamino)ethoxy]cyclopentyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-imidazol-1-ylethoxy)cyclohexyl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(4-methylpiperazin-1-yl)cyclobutyl]phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[4-[1-(4-ethylpiperazin-1-yl)cyclopentyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide has a molecular weight of 2456.31 g/mol, XLogP of 32.63, 32 rotatable bonds, 10 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(dimethylamino)cyclobutyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-[1-[2-(dimethylamino)ethoxy]cyclopentyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-imidazol-1-ylethoxy)cyclohexyl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(4-methylpiperazin-1-yl)cyclobutyl]phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[4-[1-(4-ethylpiperazin-1-yl)cyclopentyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide is sourced from PubChem (CID 157335185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).