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

C135H175N23O8 — CID 160942236

IUPACN-[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
SMILES[C-]#[N+]C1=CCC(C(=O)Nc2ccc(C(C)(C)OCCN(C)C)cc2N2CCC(C)CC2)=C1.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(C(C)(C)OCCN(C)C)cc2N2CCC(C)CC2)=N1.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(C(C)N(C)C)cc2C2=CCC3(CCCC3)CC2)=N1.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(C(C)N3CCN(CC)CC3)cc2C2=CCC3(CCCC3)CC2)=N1.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(C(CC)OCCn3ccnc3)cc2C2=CCC(C)(C)CC2)=N1
InChIInChI=1S/C30H39N5O.C28H33N5O2.C26H36N4O2.C26H32N4O.C25H35N5O2/c1-4-34-17-19-35(20-18-34)22(2)24-7-8-26(33-29(36)27-9-10-28(31-3)32-27)25(21-24)23-11-15-30(16-12-23)13-5-6-14-30;1-5-25(35-17-16-33-15-14-30-19-33)21-6-7-23(32-27(34)24-8-9-26(29-4)31-24)22(18-21)20-10-12-28(2,3)13-11-20;1-19-11-13-30(14-12-19)24-18-21(26(2,3)32-16-15-29(5)6)8-10-23(24)28-25(31)20-7-9-22(17-20)27-4;1-18(30(3)4)20-7-8-22(29-25(31)23-9-10-24(27-2)28-23)21(17-20)19-11-15-26(16-12-19)13-5-6-14-26;1-18-11-13-30(14-12-18)22-17-19(25(2,3)32-16-15-29(5)6)7-8-20(22)28-24(31)21-9-10-23(26-4)27-21/h7-8,10-11,21-22H,4-6,9,12-20H2,1-2H3,(H,33,36);6-7,9-10,14-15,18-19,25H,5,8,11-13,16-17H2,1-3H3,(H,32,34);8-10,17-19H,7,11-16H2,1-3,5-6H3,(H,28,31);7-8,10-11,17-18H,5-6,9,12-16H2,1,3-4H3,(H,29,31);7-8,10,17-18H,9,11-16H2,1-3,5-6H3,(H,28,31)
InChIKeySUQPLZGJDJNEDV-UHFFFAOYSA-N
MW2248.04 g/mol
LogP27.31
Rot. Bonds36

About 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

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 (PubChem CID 160942236) has the molecular formula C135H175N23O8 and a molecular weight of 2248.04 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID160942236
Molecular FormulaC135H175N23O8
Molecular Weight2248.04 g/mol
Exact Mass2246.40
IUPAC NameN-[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
SMILES[C-]#[N+]C1=CCC(C(=O)Nc2ccc(C(C)(C)OCCN(C)C)cc2N2CCC(C)CC2)=C1.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(C(C)(C)OCCN(C)C)cc2N2CCC(C)CC2)=N1.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(C(C)N(C)C)cc2C2=CCC3(CCCC3)CC2)=N1.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(C(C)N3CCN(CC)CC3)cc2C2=CCC3(CCCC3)CC2)=N1.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(C(CC)OCCn3ccnc3)cc2C2=CCC(C)(C)CC2)=N1
InChIInChI=1S/C30H39N5O.C28H33N5O2.C26H36N4O2.C26H32N4O.C25H35N5O2/c1-4-34-17-19-35(20-18-34)22(2)24-7-8-26(33-29(36)27-9-10-28(31-3)32-27)25(21-24)23-11-15-30(16-12-23)13-5-6-14-30;1-5-25(35-17-16-33-15-14-30-19-33)21-6-7-23(32-27(34)24-8-9-26(29-4)31-24)22(18-21)20-10-12-28(2,3)13-11-20;1-19-11-13-30(14-12-19)24-18-21(26(2,3)32-16-15-29(5)6)8-10-23(24)28-25(31)20-7-9-22(17-20)27-4;1-18(30(3)4)20-7-8-22(29-25(31)23-9-10-24(27-2)28-23)21(17-20)19-11-15-26(16-12-19)13-5-6-14-26;1-18-11-13-30(14-12-18)22-17-19(25(2,3)32-16-15-29(5)6)7-8-20(22)28-24(31)21-9-10-23(26-4)27-21/h7-8,10-11,21-22H,4-6,9,12-20H2,1-2H3,(H,33,36);6-7,9-10,14-15,18-19,25H,5,8,11-13,16-17H2,1-3H3,(H,32,34);8-10,17-19H,7,11-16H2,1-3,5-6H3,(H,28,31);7-8,10-11,17-18H,5-6,9,12-16H2,1,3-4H3,(H,29,31);7-8,10,17-18H,9,11-16H2,1-3,5-6H3,(H,28,31)
InChIKeySUQPLZGJDJNEDV-UHFFFAOYSA-N
XLogP27.31
TPSA284.93 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds36
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002248.04
LogP ≤ 527.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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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-[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
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-[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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [C-]#[N+]C1=CCC(C(=O)Nc2ccc(C(C)(C)OCCN(C)C)cc2N2CCC(C)CC2)=C1.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(C(C)(C)OCCN(C)C)cc2N2CCC(C)CC2)=N1.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(C(C)N(C)C)cc2C2=CCC3(CCCC3)CC2)=N1.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(C(C)N3CCN(CC)CC3)cc2C2=CCC3(CCCC3)CC2)=N1.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(C(CC)OCCn3ccnc3)cc2C2=CCC(C)(C)CC2)=N1.
What is the InChIKey of 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?
The InChIKey is SUQPLZGJDJNEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N5O.C28H33N5O2.C26H36N4O2.C26H32N4O.C25H35N5O2/c1-4-34-17-19-35(20-18-34)22(2)24-7-8-26(33-29(36)27-9-10-28(31-3)32-27)25(21-24)23-11-15-30(16-12-23)13-5-6-14-30;1-5-25(35-17-16-33-15-14-30-19-33)21-6-7-23(32-27(34)24-8-9-26(29-4)31-24)22(18-21)20-10-12-28(2,3)13-11-20;1-19-11-13-30(14-12-19)24-18-21(26(2,3)32-16-15-29(5)6)8-10-23(24)28-25(31)20-7-9-22(17-20)27-4;1-18(30(3)4)20-7-8-22(29-25(31)23-9-10-24(27-2)28-23)21(17-20)19-11-15-26(16-12-19)13-5-6-14-26;1-18-11-13-30(14-12-18)22-17-19(25(2,3)32-16-15-29(5)6)7-8-20(22)28-24(31)21-9-10-23(26-4)27-21/h7-8,10-11,21-22H,4-6,9,12-20H2,1-2H3,(H,33,36);6-7,9-10,14-15,18-19,25H,5,8,11-13,16-17H2,1-3H3,(H,32,34);8-10,17-19H,7,11-16H2,1-3,5-6H3,(H,28,31);7-8,10-11,17-18H,5-6,9,12-16H2,1,3-4H3,(H,29,31);7-8,10,17-18H,9,11-16H2,1-3,5-6H3,(H,28,31).
What are the key properties of 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?
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 has a molecular weight of 2248.04 g/mol, XLogP of 27.31, 36 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160942236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).