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

C153H192N22O7 — CID 159889570

IUPACN-[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
SMILES[C-]#[N+]C1=CCC(C(=O)Nc2ccc(C3(N(C)C)CCC3)cc2C2=CCC3(CCCC3)CC2)=N1.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(C3(N4CCN(C)CC4)CCC3)cc2C2=CCC(C)(C)CC2)=C1.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(C3(N4CCN(CC)CC4)CCCC3)cc2C2=CCC3(CCCC3)CC2)=N1.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(C3(OCCN(C)C)CCCC3)cc2C2=CCC3(CCCC3)CC2)=N1.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(C3(OCCn4ccnc4)CCCCC3)cc2C2=CCC(C)(C)CC2)=N1
InChIInChI=1S/C33H43N5O.C31H37N5O2.C31H40N4O2.C30H38N4O.C28H34N4O/c1-3-37-20-22-38(23-21-37)33(16-6-7-17-33)26-8-9-28(36-31(39)29-10-11-30(34-2)35-29)27(24-26)25-12-18-32(19-13-25)14-4-5-15-32;1-30(2)15-11-23(12-16-30)25-21-24(7-8-26(25)35-29(37)27-9-10-28(32-3)34-27)31(13-5-4-6-14-31)38-20-19-36-18-17-33-22-36;1-32-28-11-10-27(33-28)29(36)34-26-9-8-24(31(16-6-7-17-31)37-21-20-35(2)3)22-25(26)23-12-18-30(19-13-23)14-4-5-15-30;1-29(2)14-10-22(11-15-29)26-21-24(30(12-5-13-30)34-18-16-33(4)17-19-34)7-9-27(26)32-28(35)23-6-8-25(20-23)31-3;1-29-25-10-9-24(30-25)26(33)31-23-8-7-21(28(32(2)3)15-6-16-28)19-22(23)20-11-17-27(18-12-20)13-4-5-14-27/h8-9,11-12,24H,3-7,10,13-23H2,1H3,(H,36,39);7-8,10-11,17-18,21-22H,4-6,9,12-16,19-20H2,1-2H3,(H,35,37);8-9,11-12,22H,4-7,10,13-21H2,2-3H3,(H,34,36);7-10,20-21H,5-6,11-19H2,1-2,4H3,(H,32,35);7-8,10-11,19H,4-6,9,12-18H2,2-3H3,(H,31,33)
InChIKeyNUOOQNJUCHXNKW-UHFFFAOYSA-N
MW2451.37 g/mol
LogP32.64
Rot. Bonds32

About 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

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 (PubChem CID 159889570) has the molecular formula C153H192N22O7 and a molecular weight of 2451.37 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID159889570
Molecular FormulaC153H192N22O7
Molecular Weight2451.37 g/mol
Exact Mass2449.53
IUPAC NameN-[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
SMILES[C-]#[N+]C1=CCC(C(=O)Nc2ccc(C3(N(C)C)CCC3)cc2C2=CCC3(CCCC3)CC2)=N1.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(C3(N4CCN(C)CC4)CCC3)cc2C2=CCC(C)(C)CC2)=C1.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(C3(N4CCN(CC)CC4)CCCC3)cc2C2=CCC3(CCCC3)CC2)=N1.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(C3(OCCN(C)C)CCCC3)cc2C2=CCC3(CCCC3)CC2)=N1.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(C3(OCCn4ccnc4)CCCCC3)cc2C2=CCC(C)(C)CC2)=N1
InChIInChI=1S/C33H43N5O.C31H37N5O2.C31H40N4O2.C30H38N4O.C28H34N4O/c1-3-37-20-22-38(23-21-37)33(16-6-7-17-33)26-8-9-28(36-31(39)29-10-11-30(34-2)35-29)27(24-26)25-12-18-32(19-13-25)14-4-5-15-32;1-30(2)15-11-23(12-16-30)25-21-24(7-8-26(25)35-29(37)27-9-10-28(32-3)34-27)31(13-5-4-6-14-31)38-20-19-36-18-17-33-22-36;1-32-28-11-10-27(33-28)29(36)34-26-9-8-24(31(16-6-7-17-31)37-21-20-35(2)3)22-25(26)23-12-18-30(19-13-23)14-4-5-15-30;1-29(2)14-10-22(11-15-29)26-21-24(30(12-5-13-30)34-18-16-33(4)17-19-34)7-9-27(26)32-28(35)23-6-8-25(20-23)31-3;1-29-25-10-9-24(30-25)26(33)31-23-8-7-21(28(32(2)3)15-6-16-28)19-22(23)20-11-17-27(18-12-20)13-4-5-14-27/h8-9,11-12,24H,3-7,10,13-23H2,1H3,(H,36,39);7-8,10-11,17-18,21-22H,4-6,9,12-16,19-20H2,1-2H3,(H,35,37);8-9,11-12,22H,4-7,10,13-21H2,2-3H3,(H,34,36);7-10,20-21H,5-6,11-19H2,1-2,4H3,(H,32,35);7-8,10-11,19H,4-6,9,12-18H2,2-3H3,(H,31,33)
InChIKeyNUOOQNJUCHXNKW-UHFFFAOYSA-N
XLogP32.64
TPSA272.46 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds32
Heavy Atoms182
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002451.37
LogP ≤ 532.64
H-Bond Donors ≤ 55
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-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 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-[1-[2-(dimethylamino)ethoxy]ethyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-3H-pyrrole-2-carboxamide;N-[4-[2-[2-(dimethylamino)ethoxy]propan-2-yl]-2-(4-methylpiperidin-1-yl)phenyl]-3-isocyanocyclopenta-1,3-diene-1-carboxamide;N-[4-[1-(dimethylamino)ethyl]-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)propyl]phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;N-[4-[1-(4-ethylpiperazin-1-yl)ethyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-3H-pyrrole-2-carboxamide
CID 157201257
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
N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-imidazol-1-ylethoxy)cyclohexyl]phenyl]-5-isocyano-3H-pyrrole-2-carboxamide
CID 159575369
N-[4-[2-[2-(dimethylamino)ethoxy]propan-2-yl]-2-(4-methylpiperidin-1-yl)phenyl]-3-isocyanocyclopenta-1,3-diene-1-carboxamide;N-[4-[2-[2-(dimethylamino)ethoxy]propan-2-yl]-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;N-[4-[1-(dimethylamino)ethyl]-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)propyl]phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;N-[4-[1-(4-ethylpiperazin-1-yl)ethyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-3H-pyrrole-2-carboxamide
CID 160942236

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-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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [C-]#[N+]C1=CCC(C(=O)Nc2ccc(C3(N(C)C)CCC3)cc2C2=CCC3(CCCC3)CC2)=N1.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(C3(N4CCN(C)CC4)CCC3)cc2C2=CCC(C)(C)CC2)=C1.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(C3(N4CCN(CC)CC4)CCCC3)cc2C2=CCC3(CCCC3)CC2)=N1.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(C3(OCCN(C)C)CCCC3)cc2C2=CCC3(CCCC3)CC2)=N1.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(C3(OCCn4ccnc4)CCCCC3)cc2C2=CCC(C)(C)CC2)=N1.
What is the InChIKey of 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?
The InChIKey is NUOOQNJUCHXNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H43N5O.C31H37N5O2.C31H40N4O2.C30H38N4O.C28H34N4O/c1-3-37-20-22-38(23-21-37)33(16-6-7-17-33)26-8-9-28(36-31(39)29-10-11-30(34-2)35-29)27(24-26)25-12-18-32(19-13-25)14-4-5-15-32;1-30(2)15-11-23(12-16-30)25-21-24(7-8-26(25)35-29(37)27-9-10-28(32-3)34-27)31(13-5-4-6-14-31)38-20-19-36-18-17-33-22-36;1-32-28-11-10-27(33-28)29(36)34-26-9-8-24(31(16-6-7-17-31)37-21-20-35(2)3)22-25(26)23-12-18-30(19-13-23)14-4-5-15-30;1-29(2)14-10-22(11-15-29)26-21-24(30(12-5-13-30)34-18-16-33(4)17-19-34)7-9-27(26)32-28(35)23-6-8-25(20-23)31-3;1-29-25-10-9-24(30-25)26(33)31-23-8-7-21(28(32(2)3)15-6-16-28)19-22(23)20-11-17-27(18-12-20)13-4-5-14-27/h8-9,11-12,24H,3-7,10,13-23H2,1H3,(H,36,39);7-8,10-11,17-18,21-22H,4-6,9,12-16,19-20H2,1-2H3,(H,35,37);8-9,11-12,22H,4-7,10,13-21H2,2-3H3,(H,34,36);7-10,20-21H,5-6,11-19H2,1-2,4H3,(H,32,35);7-8,10-11,19H,4-6,9,12-18H2,2-3H3,(H,31,33).
What are the key properties of 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?
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 has a molecular weight of 2451.37 g/mol, XLogP of 32.64, 32 rotatable bonds, 5 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-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 is sourced from PubChem (CID 159889570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).