N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-isocyanocyclopenta-1,3-diene-1-carboxamide;(E)-3-[4-[(3-isocyanocyclopenta-1,3-diene-1-carbonyl)amino]-3-(4-methylpiperidin-1-yl)phenyl]prop-2-enoic acid;(E)-3-[5-[(3-isocyanocyclopenta-1,3-diene-1-carbonyl)amino]-6-(4-methylpiperidin-1-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[4-[(5-isocyano-3H-pyrrole-2-carbonyl)amino]-3-(4-methylpiperidin-1-yl)phenyl]prop-2-enoic acid;(E)-3-[5-[(5-isocyano-3H-pyrrole-2-carbonyl)amino]-6-(4-methylpiperidin-1-yl)-2-pyridinyl]prop-2-enoic acid

C112H124N20O13 — CID 157234183

IUPACN-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-isocyanocyclopenta-1,3-diene-1-carboxamide;(E)-3-[4-[(3-isocyanocyclopenta-1,3-diene-1-carbonyl)amino]-3-(4-methylpiperidin-1-yl)phenyl]prop-2-enoic acid;(E)-3-[5-[(3-isocyanocyclopenta-1,3-diene-1-carbonyl)amino]-6-(4-methylpiperidin-1-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[4-[(5-isocyano-3H-pyrrole-2-carbonyl)amino]-3-(4-methylpiperidin-1-yl)phenyl]prop-2-enoic acid;(E)-3-[5-[(5-isocyano-3H-pyrrole-2-carbonyl)amino]-6-(4-methylpiperidin-1-yl)-2-pyridinyl]prop-2-enoic acid
SMILES[C-]#[N+]C1=CCC(C(=O)Nc2ccc(/C=C/C(=O)O)cc2N2CCC(C)CC2)=C1.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(/C=C/C(=O)O)cc2N2CCC(C)CC2)=N1.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(/C=C/C(=O)O)nc2N2CCC(C)CC2)=C1.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(/C=C/C(=O)O)nc2N2CCC(C)CC2)=N1.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(C(C)N3CCN(C)CC3)cc2C2=CCC(C)(C)CC2)=C1
InChIInChI=1S/C28H36N4O.C22H23N3O3.2C21H22N4O3.C20H21N5O3/c1-20(32-16-14-31(5)15-17-32)22-7-9-26(30-27(33)23-6-8-24(18-23)29-4)25(19-22)21-10-12-28(2,3)13-11-21;1-15-9-11-25(12-10-15)20-13-16(4-8-21(26)27)3-7-19(20)24-22(28)17-5-6-18(14-17)23-2;1-14-9-11-25(12-10-14)18-13-15(4-8-20(26)27)3-5-16(18)24-21(28)17-6-7-19(22-2)23-17;1-14-9-11-25(12-10-14)20-18(7-5-16(23-20)6-8-19(26)27)24-21(28)15-3-4-17(13-15)22-2;1-13-9-11-25(12-10-13)19-15(5-3-14(22-19)4-8-18(26)27)24-20(28)16-6-7-17(21-2)23-16/h7-10,18-20H,6,11-17H2,1-3,5H3,(H,30,33);3-4,6-8,13-15H,5,9-12H2,1H3,(H,24,28)(H,26,27);3-5,7-8,13-14H,6,9-12H2,1H3,(H,24,28)(H,26,27);4-8,13-14H,3,9-12H2,1H3,(H,24,28)(H,26,27);3-5,7-8,13H,6,9-12H2,1H3,(H,24,28)(H,26,27)/b;2*8-4+;8-6+;8-4+
InChIKeyAULGPBLEFCFFKI-QMIBBMMZSA-N
MW1958.35 g/mol
LogP19.76
Rot. Bonds25

About N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-isocyanocyclopenta-1,3-diene-1-carboxamide;(E)-3-[4-[(3-isocyanocyclopenta-1,3-diene-1-carbonyl)amino]-3-(4-methylpiperidin-1-yl)phenyl]prop-2-enoic acid;(E)-3-[5-[(3-isocyanocyclopenta-1,3-diene-1-carbonyl)amino]-6-(4-methylpiperidin-1-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[4-[(5-isocyano-3H-pyrrole-2-carbonyl)amino]-3-(4-methylpiperidin-1-yl)phenyl]prop-2-enoic acid;(E)-3-[5-[(5-isocyano-3H-pyrrole-2-carbonyl)amino]-6-(4-methylpiperidin-1-yl)-2-pyridinyl]prop-2-enoic acid

N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-isocyanocyclopenta-1,3-diene-1-carboxamide;(E)-3-[4-[(3-isocyanocyclopenta-1,3-diene-1-carbonyl)amino]-3-(4-methylpiperidin-1-yl)phenyl]prop-2-enoic acid;(E)-3-[5-[(3-isocyanocyclopenta-1,3-diene-1-carbonyl)amino]-6-(4-methylpiperidin-1-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[4-[(5-isocyano-3H-pyrrole-2-carbonyl)amino]-3-(4-methylpiperidin-1-yl)phenyl]prop-2-enoic acid;(E)-3-[5-[(5-isocyano-3H-pyrrole-2-carbonyl)amino]-6-(4-methylpiperidin-1-yl)-2-pyridinyl]prop-2-enoic acid (PubChem CID 157234183) has the molecular formula C112H124N20O13 and a molecular weight of 1958.35 g/mol. Its IUPAC name is N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-isocyanocyclopenta-1,3-diene-1-carboxamide;(E)-3-[4-[(3-isocyanocyclopenta-1,3-diene-1-carbonyl)amino]-3-(4-methylpiperidin-1-yl)phenyl]prop-2-enoic acid;(E)-3-[5-[(3-isocyanocyclopenta-1,3-diene-1-carbonyl)amino]-6-(4-methylpiperidin-1-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[4-[(5-isocyano-3H-pyrrole-2-carbonyl)amino]-3-(4-methylpiperidin-1-yl)phenyl]prop-2-enoic acid;(E)-3-[5-[(5-isocyano-3H-pyrrole-2-carbonyl)amino]-6-(4-methylpiperidin-1-yl)-2-pyridinyl]prop-2-enoic acid.

Molecular Properties

Compound NameN-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-isocyanocyclopenta-1,3-diene-1-carboxamide;(E)-3-[4-[(3-isocyanocyclopenta-1,3-diene-1-carbonyl)amino]-3-(4-methylpiperidin-1-yl)phenyl]prop-2-enoic acid;(E)-3-[5-[(3-isocyanocyclopenta-1,3-diene-1-carbonyl)amino]-6-(4-methylpiperidin-1-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[4-[(5-isocyano-3H-pyrrole-2-carbonyl)amino]-3-(4-methylpiperidin-1-yl)phenyl]prop-2-enoic acid;(E)-3-[5-[(5-isocyano-3H-pyrrole-2-carbonyl)amino]-6-(4-methylpiperidin-1-yl)-2-pyridinyl]prop-2-enoic acid
PubChem CID157234183
Molecular FormulaC112H124N20O13
Molecular Weight1958.35 g/mol
Exact Mass1956.97
IUPAC NameN-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-isocyanocyclopenta-1,3-diene-1-carboxamide;(E)-3-[4-[(3-isocyanocyclopenta-1,3-diene-1-carbonyl)amino]-3-(4-methylpiperidin-1-yl)phenyl]prop-2-enoic acid;(E)-3-[5-[(3-isocyanocyclopenta-1,3-diene-1-carbonyl)amino]-6-(4-methylpiperidin-1-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[4-[(5-isocyano-3H-pyrrole-2-carbonyl)amino]-3-(4-methylpiperidin-1-yl)phenyl]prop-2-enoic acid;(E)-3-[5-[(5-isocyano-3H-pyrrole-2-carbonyl)amino]-6-(4-methylpiperidin-1-yl)-2-pyridinyl]prop-2-enoic acid
SMILES[C-]#[N+]C1=CCC(C(=O)Nc2ccc(/C=C/C(=O)O)cc2N2CCC(C)CC2)=C1.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(/C=C/C(=O)O)cc2N2CCC(C)CC2)=N1.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(/C=C/C(=O)O)nc2N2CCC(C)CC2)=C1.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(/C=C/C(=O)O)nc2N2CCC(C)CC2)=N1.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(C(C)N3CCN(C)CC3)cc2C2=CCC(C)(C)CC2)=C1
InChIInChI=1S/C28H36N4O.C22H23N3O3.2C21H22N4O3.C20H21N5O3/c1-20(32-16-14-31(5)15-17-32)22-7-9-26(30-27(33)23-6-8-24(18-23)29-4)25(19-22)21-10-12-28(2,3)13-11-21;1-15-9-11-25(12-10-15)20-13-16(4-8-21(26)27)3-7-19(20)24-22(28)17-5-6-18(14-17)23-2;1-14-9-11-25(12-10-14)18-13-15(4-8-20(26)27)3-5-16(18)24-21(28)17-6-7-19(22-2)23-17;1-14-9-11-25(12-10-14)20-18(7-5-16(23-20)6-8-19(26)27)24-21(28)15-3-4-17(13-15)22-2;1-13-9-11-25(12-10-13)19-15(5-3-14(22-19)4-8-18(26)27)24-20(28)16-6-7-17(21-2)23-16/h7-10,18-20H,6,11-17H2,1-3,5H3,(H,30,33);3-4,6-8,13-15H,5,9-12H2,1H3,(H,24,28)(H,26,27);3-5,7-8,13-14H,6,9-12H2,1H3,(H,24,28)(H,26,27);4-8,13-14H,3,9-12H2,1H3,(H,24,28)(H,26,27);3-5,7-8,13H,6,9-12H2,1H3,(H,24,28)(H,26,27)/b;2*8-4+;8-6+;8-4+
InChIKeyAULGPBLEFCFFKI-QMIBBMMZSA-N
XLogP19.76
TPSA386.44 Ų
H-Bond Donors9
H-Bond Acceptors19
Rotatable Bonds25
Heavy Atoms145
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001958.35
LogP ≤ 519.76
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-isocyanocyclopenta-1,3-diene-1-carboxamide;(E)-3-[4-[(3-isocyanocyclopenta-1,3-diene-1-carbonyl)amino]-3-(4-methylpiperidin-1-yl)phenyl]prop-2-enoic acid;(E)-3-[5-[(3-isocyanocyclopenta-1,3-diene-1-carbonyl)amino]-6-(4-methylpiperidin-1-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[4-[(5-isocyano-3H-pyrrole-2-carbonyl)amino]-3-(4-methylpiperidin-1-yl)phenyl]prop-2-enoic acid;(E)-3-[5-[(5-isocyano-3H-pyrrole-2-carbonyl)amino]-6-(4-methylpiperidin-1-yl)-2-pyridinyl]prop-2-enoic acid 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-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(4-ethylpiperazin-1-yl)propan-2-yl]-3-pyridinyl]-5-isocyano-3H-pyrrole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(4-methylpiperazin-1-yl)propan-2-yl]-3-pyridinyl]-5-isocyano-3H-pyrrole-2-carboxamide;3-isocyano-N-[6-[2-(4-methylpiperazin-1-yl)propan-2-yl]-2-piperidin-1-yl-3-pyridinyl]cyclopenta-1,3-diene-1-carboxamide;5-isocyano-N-[6-[2-(4-methylpiperazin-1-yl)propan-2-yl]-2-spiro[4.5]dec-8-en-8-yl-3-pyridinyl]-3H-pyrrole-2-carboxamide
CID 157619080
N-[4-[1-[2-(dimethylamino)ethoxy]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-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-isocyanocyclopenta-1,3-diene-1-carboxamide;(E)-3-[4-[(3-isocyanocyclopenta-1,3-diene-1-carbonyl)amino]-3-(4-methylpiperidin-1-yl)phenyl]prop-2-enoic acid;(E)-3-[5-[(5-isocyano-3H-pyrrole-2-carbonyl)amino]-6-(4-methylpiperidin-1-yl)-2-pyridinyl]prop-2-enoic acid
CID 160721228
N-[4-[1-[2-(dimethylamino)ethoxy]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-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-isocyanocyclopenta-1,3-diene-1-carboxamide;(E)-3-[4-[(3-isocyanocyclopenta-1,3-diene-1-carbonyl)amino]-3-(4-methylpiperidin-1-yl)phenyl]prop-2-enoic acid;(E)-3-[4-[(5-isocyano-3H-pyrrole-2-carbonyl)amino]-3-(4-methylpiperidin-1-yl)phenyl]prop-2-enoic acid;(E)-3-[5-[(5-isocyano-3H-pyrrole-2-carbonyl)amino]-6-(4-methylpiperidin-1-yl)-2-pyridinyl]prop-2-enoic acid
CID 161069666

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-isocyanocyclopenta-1,3-diene-1-carboxamide;(E)-3-[4-[(3-isocyanocyclopenta-1,3-diene-1-carbonyl)amino]-3-(4-methylpiperidin-1-yl)phenyl]prop-2-enoic acid;(E)-3-[5-[(3-isocyanocyclopenta-1,3-diene-1-carbonyl)amino]-6-(4-methylpiperidin-1-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[4-[(5-isocyano-3H-pyrrole-2-carbonyl)amino]-3-(4-methylpiperidin-1-yl)phenyl]prop-2-enoic acid;(E)-3-[5-[(5-isocyano-3H-pyrrole-2-carbonyl)amino]-6-(4-methylpiperidin-1-yl)-2-pyridinyl]prop-2-enoic acid?
The IUPAC name of N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-isocyanocyclopenta-1,3-diene-1-carboxamide;(E)-3-[4-[(3-isocyanocyclopenta-1,3-diene-1-carbonyl)amino]-3-(4-methylpiperidin-1-yl)phenyl]prop-2-enoic acid;(E)-3-[5-[(3-isocyanocyclopenta-1,3-diene-1-carbonyl)amino]-6-(4-methylpiperidin-1-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[4-[(5-isocyano-3H-pyrrole-2-carbonyl)amino]-3-(4-methylpiperidin-1-yl)phenyl]prop-2-enoic acid;(E)-3-[5-[(5-isocyano-3H-pyrrole-2-carbonyl)amino]-6-(4-methylpiperidin-1-yl)-2-pyridinyl]prop-2-enoic acid (CID 157234183) is N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-isocyanocyclopenta-1,3-diene-1-carboxamide;(E)-3-[4-[(3-isocyanocyclopenta-1,3-diene-1-carbonyl)amino]-3-(4-methylpiperidin-1-yl)phenyl]prop-2-enoic acid;(E)-3-[5-[(3-isocyanocyclopenta-1,3-diene-1-carbonyl)amino]-6-(4-methylpiperidin-1-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[4-[(5-isocyano-3H-pyrrole-2-carbonyl)amino]-3-(4-methylpiperidin-1-yl)phenyl]prop-2-enoic acid;(E)-3-[5-[(5-isocyano-3H-pyrrole-2-carbonyl)amino]-6-(4-methylpiperidin-1-yl)-2-pyridinyl]prop-2-enoic acid.
What is the SMILES notation for N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-isocyanocyclopenta-1,3-diene-1-carboxamide;(E)-3-[4-[(3-isocyanocyclopenta-1,3-diene-1-carbonyl)amino]-3-(4-methylpiperidin-1-yl)phenyl]prop-2-enoic acid;(E)-3-[5-[(3-isocyanocyclopenta-1,3-diene-1-carbonyl)amino]-6-(4-methylpiperidin-1-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[4-[(5-isocyano-3H-pyrrole-2-carbonyl)amino]-3-(4-methylpiperidin-1-yl)phenyl]prop-2-enoic acid;(E)-3-[5-[(5-isocyano-3H-pyrrole-2-carbonyl)amino]-6-(4-methylpiperidin-1-yl)-2-pyridinyl]prop-2-enoic acid?
The canonical SMILES for N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-isocyanocyclopenta-1,3-diene-1-carboxamide;(E)-3-[4-[(3-isocyanocyclopenta-1,3-diene-1-carbonyl)amino]-3-(4-methylpiperidin-1-yl)phenyl]prop-2-enoic acid;(E)-3-[5-[(3-isocyanocyclopenta-1,3-diene-1-carbonyl)amino]-6-(4-methylpiperidin-1-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[4-[(5-isocyano-3H-pyrrole-2-carbonyl)amino]-3-(4-methylpiperidin-1-yl)phenyl]prop-2-enoic acid;(E)-3-[5-[(5-isocyano-3H-pyrrole-2-carbonyl)amino]-6-(4-methylpiperidin-1-yl)-2-pyridinyl]prop-2-enoic acid is [C-]#[N+]C1=CCC(C(=O)Nc2ccc(/C=C/C(=O)O)cc2N2CCC(C)CC2)=C1.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(/C=C/C(=O)O)cc2N2CCC(C)CC2)=N1.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(/C=C/C(=O)O)nc2N2CCC(C)CC2)=C1.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(/C=C/C(=O)O)nc2N2CCC(C)CC2)=N1.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(C(C)N3CCN(C)CC3)cc2C2=CCC(C)(C)CC2)=C1.
What is the InChIKey of N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-isocyanocyclopenta-1,3-diene-1-carboxamide;(E)-3-[4-[(3-isocyanocyclopenta-1,3-diene-1-carbonyl)amino]-3-(4-methylpiperidin-1-yl)phenyl]prop-2-enoic acid;(E)-3-[5-[(3-isocyanocyclopenta-1,3-diene-1-carbonyl)amino]-6-(4-methylpiperidin-1-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[4-[(5-isocyano-3H-pyrrole-2-carbonyl)amino]-3-(4-methylpiperidin-1-yl)phenyl]prop-2-enoic acid;(E)-3-[5-[(5-isocyano-3H-pyrrole-2-carbonyl)amino]-6-(4-methylpiperidin-1-yl)-2-pyridinyl]prop-2-enoic acid?
The InChIKey is AULGPBLEFCFFKI-QMIBBMMZSA-N. The full InChI is InChI=1S/C28H36N4O.C22H23N3O3.2C21H22N4O3.C20H21N5O3/c1-20(32-16-14-31(5)15-17-32)22-7-9-26(30-27(33)23-6-8-24(18-23)29-4)25(19-22)21-10-12-28(2,3)13-11-21;1-15-9-11-25(12-10-15)20-13-16(4-8-21(26)27)3-7-19(20)24-22(28)17-5-6-18(14-17)23-2;1-14-9-11-25(12-10-14)18-13-15(4-8-20(26)27)3-5-16(18)24-21(28)17-6-7-19(22-2)23-17;1-14-9-11-25(12-10-14)20-18(7-5-16(23-20)6-8-19(26)27)24-21(28)15-3-4-17(13-15)22-2;1-13-9-11-25(12-10-13)19-15(5-3-14(22-19)4-8-18(26)27)24-20(28)16-6-7-17(21-2)23-16/h7-10,18-20H,6,11-17H2,1-3,5H3,(H,30,33);3-4,6-8,13-15H,5,9-12H2,1H3,(H,24,28)(H,26,27);3-5,7-8,13-14H,6,9-12H2,1H3,(H,24,28)(H,26,27);4-8,13-14H,3,9-12H2,1H3,(H,24,28)(H,26,27);3-5,7-8,13H,6,9-12H2,1H3,(H,24,28)(H,26,27)/b;2*8-4+;8-6+;8-4+.
What are the key properties of N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-isocyanocyclopenta-1,3-diene-1-carboxamide;(E)-3-[4-[(3-isocyanocyclopenta-1,3-diene-1-carbonyl)amino]-3-(4-methylpiperidin-1-yl)phenyl]prop-2-enoic acid;(E)-3-[5-[(3-isocyanocyclopenta-1,3-diene-1-carbonyl)amino]-6-(4-methylpiperidin-1-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[4-[(5-isocyano-3H-pyrrole-2-carbonyl)amino]-3-(4-methylpiperidin-1-yl)phenyl]prop-2-enoic acid;(E)-3-[5-[(5-isocyano-3H-pyrrole-2-carbonyl)amino]-6-(4-methylpiperidin-1-yl)-2-pyridinyl]prop-2-enoic acid?
N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-isocyanocyclopenta-1,3-diene-1-carboxamide;(E)-3-[4-[(3-isocyanocyclopenta-1,3-diene-1-carbonyl)amino]-3-(4-methylpiperidin-1-yl)phenyl]prop-2-enoic acid;(E)-3-[5-[(3-isocyanocyclopenta-1,3-diene-1-carbonyl)amino]-6-(4-methylpiperidin-1-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[4-[(5-isocyano-3H-pyrrole-2-carbonyl)amino]-3-(4-methylpiperidin-1-yl)phenyl]prop-2-enoic acid;(E)-3-[5-[(5-isocyano-3H-pyrrole-2-carbonyl)amino]-6-(4-methylpiperidin-1-yl)-2-pyridinyl]prop-2-enoic acid has a molecular weight of 1958.35 g/mol, XLogP of 19.76, 25 rotatable bonds, 9 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-isocyanocyclopenta-1,3-diene-1-carboxamide;(E)-3-[4-[(3-isocyanocyclopenta-1,3-diene-1-carbonyl)amino]-3-(4-methylpiperidin-1-yl)phenyl]prop-2-enoic acid;(E)-3-[5-[(3-isocyanocyclopenta-1,3-diene-1-carbonyl)amino]-6-(4-methylpiperidin-1-yl)-2-pyridinyl]prop-2-enoic acid;(E)-3-[4-[(5-isocyano-3H-pyrrole-2-carbonyl)amino]-3-(4-methylpiperidin-1-yl)phenyl]prop-2-enoic acid;(E)-3-[5-[(5-isocyano-3H-pyrrole-2-carbonyl)amino]-6-(4-methylpiperidin-1-yl)-2-pyridinyl]prop-2-enoic acid is sourced from PubChem (CID 157234183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).