1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[dimethylamino-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2,6-dimethylmorpholin-4-yl)-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[[4-(2-methoxyethyl)piperazin-1-yl]-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-(1,3-benzodioxol-5-yl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide;N-(6-ethyl-2-pyridinyl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen

C125H137N11O19 — CID 158126091

IUPAC1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[dimethylamino-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2,6-dimethylmorpholin-4-yl)-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[[4-(2-methoxyethyl)piperazin-1-yl]-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-(1,3-benzodioxol-5-yl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide;N-(6-ethyl-2-pyridinyl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen
SMILESCCc1cccc(NC(=O)C2(c3ccc(OC)cc3)CC2)n1.COCCN1CCN(C(c2ccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)nc2)c2ccccc2OC)CC1.COc1ccccc1C(c1ccc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1)N(C)C.COc1ccccc1C(c1ccc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1)N1CC(C)OC(C)C1.Cc1ccnc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)c1.[H][H]
InChIInChI=1S/C32H37N3O5.C31H34N2O5.C27H28N2O4.C18H20N2O2.C17H16N2O3.H2/c1-37-18-17-34-13-15-35(16-14-34)31(26-5-3-4-6-27(26)38-2)23-7-9-25(33-21-23)20-30(36)32(11-12-32)24-8-10-28-29(19-24)40-22-39-28;1-20-17-33(18-21(2)38-20)30(25-6-4-5-7-26(25)35-3)22-8-10-24(32-16-22)15-29(34)31(12-13-31)23-9-11-27-28(14-23)37-19-36-27;1-29(2)26(21-6-4-5-7-22(21)31-3)18-8-10-20(28-16-18)15-25(30)27(12-13-27)19-9-11-23-24(14-19)33-17-32-23;1-3-14-5-4-6-16(19-14)20-17(21)18(11-12-18)13-7-9-15(22-2)10-8-13;1-11-4-7-18-15(8-11)19-16(20)17(5-6-17)12-2-3-13-14(9-12)22-10-21-13;/h3-10,19,21,31H,11-18,20,22H2,1-2H3;4-11,14,16,20-21,30H,12-13,15,17-19H2,1-3H3;4-11,14,16,26H,12-13,15,17H2,1-3H3;4-10H,3,11-12H2,1-2H3,(H,19,20,21);2-4,7-9H,5-6,10H2,1H3,(H,18,19,20);1H
InChIKeyFSEQHBQDLCVSKZ-UHFFFAOYSA-N
MW2097.53 g/mol
LogP19.55
Rot. Bonds35

About 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[dimethylamino-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2,6-dimethylmorpholin-4-yl)-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[[4-(2-methoxyethyl)piperazin-1-yl]-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-(1,3-benzodioxol-5-yl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide;N-(6-ethyl-2-pyridinyl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen

1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[dimethylamino-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2,6-dimethylmorpholin-4-yl)-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[[4-(2-methoxyethyl)piperazin-1-yl]-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-(1,3-benzodioxol-5-yl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide;N-(6-ethyl-2-pyridinyl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 158126091) has the molecular formula C125H137N11O19 and a molecular weight of 2097.53 g/mol. Its IUPAC name is 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[dimethylamino-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2,6-dimethylmorpholin-4-yl)-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[[4-(2-methoxyethyl)piperazin-1-yl]-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-(1,3-benzodioxol-5-yl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide;N-(6-ethyl-2-pyridinyl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[dimethylamino-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2,6-dimethylmorpholin-4-yl)-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[[4-(2-methoxyethyl)piperazin-1-yl]-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-(1,3-benzodioxol-5-yl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide;N-(6-ethyl-2-pyridinyl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen
PubChem CID158126091
Molecular FormulaC125H137N11O19
Molecular Weight2097.53 g/mol
Exact Mass2096.01
IUPAC Name1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[dimethylamino-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2,6-dimethylmorpholin-4-yl)-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[[4-(2-methoxyethyl)piperazin-1-yl]-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-(1,3-benzodioxol-5-yl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide;N-(6-ethyl-2-pyridinyl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen
SMILESCCc1cccc(NC(=O)C2(c3ccc(OC)cc3)CC2)n1.COCCN1CCN(C(c2ccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)nc2)c2ccccc2OC)CC1.COc1ccccc1C(c1ccc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1)N(C)C.COc1ccccc1C(c1ccc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1)N1CC(C)OC(C)C1.Cc1ccnc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)c1.[H][H]
InChIInChI=1S/C32H37N3O5.C31H34N2O5.C27H28N2O4.C18H20N2O2.C17H16N2O3.H2/c1-37-18-17-34-13-15-35(16-14-34)31(26-5-3-4-6-27(26)38-2)23-7-9-25(33-21-23)20-30(36)32(11-12-32)24-8-10-28-29(19-24)40-22-39-28;1-20-17-33(18-21(2)38-20)30(25-6-4-5-7-26(25)35-3)22-8-10-24(32-16-22)15-29(34)31(12-13-31)23-9-11-27-28(14-23)37-19-36-27;1-29(2)26(21-6-4-5-7-22(21)31-3)18-8-10-20(28-16-18)15-25(30)27(12-13-27)19-9-11-23-24(14-19)33-17-32-23;1-3-14-5-4-6-16(19-14)20-17(21)18(11-12-18)13-7-9-15(22-2)10-8-13;1-11-4-7-18-15(8-11)19-16(20)17(5-6-17)12-2-3-13-14(9-12)22-10-21-13;/h3-10,19,21,31H,11-18,20,22H2,1-2H3;4-11,14,16,20-21,30H,12-13,15,17-19H2,1-3H3;4-11,14,16,26H,12-13,15,17H2,1-3H3;4-10H,3,11-12H2,1-2H3,(H,19,20,21);2-4,7-9H,5-6,10H2,1H3,(H,18,19,20);1H
InChIKeyFSEQHBQDLCVSKZ-UHFFFAOYSA-N
XLogP19.55
TPSA316.04 Ų
H-Bond Donors2
H-Bond Acceptors28
Rotatable Bonds35
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002097.53
LogP ≤ 519.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1028

Analyze 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[dimethylamino-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2,6-dimethylmorpholin-4-yl)-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[[4-(2-methoxyethyl)piperazin-1-yl]-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-(1,3-benzodioxol-5-yl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide;N-(6-ethyl-2-pyridinyl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[dimethylamino-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2,6-dimethylmorpholin-4-yl)-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[[4-(2-methoxyethyl)piperazin-1-yl]-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-(1,3-benzodioxol-5-yl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide;N-(6-ethyl-2-pyridinyl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen?
The IUPAC name of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[dimethylamino-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2,6-dimethylmorpholin-4-yl)-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[[4-(2-methoxyethyl)piperazin-1-yl]-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-(1,3-benzodioxol-5-yl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide;N-(6-ethyl-2-pyridinyl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen (CID 158126091) is 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[dimethylamino-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2,6-dimethylmorpholin-4-yl)-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[[4-(2-methoxyethyl)piperazin-1-yl]-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-(1,3-benzodioxol-5-yl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide;N-(6-ethyl-2-pyridinyl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen.
What is the SMILES notation for 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[dimethylamino-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2,6-dimethylmorpholin-4-yl)-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[[4-(2-methoxyethyl)piperazin-1-yl]-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-(1,3-benzodioxol-5-yl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide;N-(6-ethyl-2-pyridinyl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen?
The canonical SMILES for 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[dimethylamino-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2,6-dimethylmorpholin-4-yl)-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[[4-(2-methoxyethyl)piperazin-1-yl]-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-(1,3-benzodioxol-5-yl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide;N-(6-ethyl-2-pyridinyl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen is CCc1cccc(NC(=O)C2(c3ccc(OC)cc3)CC2)n1.COCCN1CCN(C(c2ccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)nc2)c2ccccc2OC)CC1.COc1ccccc1C(c1ccc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1)N(C)C.COc1ccccc1C(c1ccc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1)N1CC(C)OC(C)C1.Cc1ccnc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)c1.[H][H].
What is the InChIKey of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[dimethylamino-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2,6-dimethylmorpholin-4-yl)-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[[4-(2-methoxyethyl)piperazin-1-yl]-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-(1,3-benzodioxol-5-yl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide;N-(6-ethyl-2-pyridinyl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen?
The InChIKey is FSEQHBQDLCVSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3O5.C31H34N2O5.C27H28N2O4.C18H20N2O2.C17H16N2O3.H2/c1-37-18-17-34-13-15-35(16-14-34)31(26-5-3-4-6-27(26)38-2)23-7-9-25(33-21-23)20-30(36)32(11-12-32)24-8-10-28-29(19-24)40-22-39-28;1-20-17-33(18-21(2)38-20)30(25-6-4-5-7-26(25)35-3)22-8-10-24(32-16-22)15-29(34)31(12-13-31)23-9-11-27-28(14-23)37-19-36-27;1-29(2)26(21-6-4-5-7-22(21)31-3)18-8-10-20(28-16-18)15-25(30)27(12-13-27)19-9-11-23-24(14-19)33-17-32-23;1-3-14-5-4-6-16(19-14)20-17(21)18(11-12-18)13-7-9-15(22-2)10-8-13;1-11-4-7-18-15(8-11)19-16(20)17(5-6-17)12-2-3-13-14(9-12)22-10-21-13;/h3-10,19,21,31H,11-18,20,22H2,1-2H3;4-11,14,16,20-21,30H,12-13,15,17-19H2,1-3H3;4-11,14,16,26H,12-13,15,17H2,1-3H3;4-10H,3,11-12H2,1-2H3,(H,19,20,21);2-4,7-9H,5-6,10H2,1H3,(H,18,19,20);1H.
What are the key properties of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[dimethylamino-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2,6-dimethylmorpholin-4-yl)-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[[4-(2-methoxyethyl)piperazin-1-yl]-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-(1,3-benzodioxol-5-yl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide;N-(6-ethyl-2-pyridinyl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen?
1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[dimethylamino-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2,6-dimethylmorpholin-4-yl)-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[[4-(2-methoxyethyl)piperazin-1-yl]-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-(1,3-benzodioxol-5-yl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide;N-(6-ethyl-2-pyridinyl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 2097.53 g/mol, XLogP of 19.55, 35 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[dimethylamino-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2,6-dimethylmorpholin-4-yl)-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[[4-(2-methoxyethyl)piperazin-1-yl]-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-(1,3-benzodioxol-5-yl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide;N-(6-ethyl-2-pyridinyl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 158126091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).