1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-methoxyphenyl)-(2-morpholin-4-ylethoxy)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]-2-pyridinyl]ethanone;1-(3,4-dimethoxyphenyl)-N-[5-[(2-methoxyphenyl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[5-[(2-methoxyphenyl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen

C109H118N8O17 — CID 157171347

IUPAC1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-methoxyphenyl)-(2-morpholin-4-ylethoxy)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]-2-pyridinyl]ethanone;1-(3,4-dimethoxyphenyl)-N-[5-[(2-methoxyphenyl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[5-[(2-methoxyphenyl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
SMILESCOc1ccc(C2(C(=O)Nc3ccc(Cc4ccccc4OC)cn3)CC2)cc1.COc1ccccc1C(OCCN1CCOCC1)c1ccc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1.COc1ccccc1C(c1ccc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1)N1CCCC1.COc1ccccc1Cc1ccc(NC(=O)C2(c3ccc(OC)c(OC)c3)CC2)nc1.[H][H].[H][H]
InChIInChI=1S/C31H34N2O6.C29H30N2O4.C25H26N2O4.C24H24N2O3.2H2/c1-35-26-5-3-2-4-25(26)30(37-17-14-33-12-15-36-16-13-33)22-6-8-24(32-20-22)19-29(34)31(10-11-31)23-7-9-27-28(18-23)39-21-38-27;1-33-24-7-3-2-6-23(24)28(31-14-4-5-15-31)20-8-10-22(30-18-20)17-27(32)29(12-13-29)21-9-11-25-26(16-21)35-19-34-25;1-29-20-7-5-4-6-18(20)14-17-8-11-23(26-16-17)27-24(28)25(12-13-25)19-9-10-21(30-2)22(15-19)31-3;1-28-20-10-8-19(9-11-20)24(13-14-24)23(27)26-22-12-7-17(16-25-22)15-18-5-3-4-6-21(18)29-2;;/h2-9,18,20,30H,10-17,19,21H2,1H3;2-3,6-11,16,18,28H,4-5,12-15,17,19H2,1H3;4-11,15-16H,12-14H2,1-3H3,(H,26,27,28);3-12,16H,13-15H2,1-2H3,(H,25,26,27);2*1H
InChIKeyANMREMATVMXWFN-UHFFFAOYSA-N
MW1812.18 g/mol
LogP18.17
Rot. Bonds34

About 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-methoxyphenyl)-(2-morpholin-4-ylethoxy)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]-2-pyridinyl]ethanone;1-(3,4-dimethoxyphenyl)-N-[5-[(2-methoxyphenyl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[5-[(2-methoxyphenyl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen

1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-methoxyphenyl)-(2-morpholin-4-ylethoxy)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]-2-pyridinyl]ethanone;1-(3,4-dimethoxyphenyl)-N-[5-[(2-methoxyphenyl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[5-[(2-methoxyphenyl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 157171347) has the molecular formula C109H118N8O17 and a molecular weight of 1812.18 g/mol. Its IUPAC name is 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-methoxyphenyl)-(2-morpholin-4-ylethoxy)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]-2-pyridinyl]ethanone;1-(3,4-dimethoxyphenyl)-N-[5-[(2-methoxyphenyl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[5-[(2-methoxyphenyl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-methoxyphenyl)-(2-morpholin-4-ylethoxy)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]-2-pyridinyl]ethanone;1-(3,4-dimethoxyphenyl)-N-[5-[(2-methoxyphenyl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[5-[(2-methoxyphenyl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
PubChem CID157171347
Molecular FormulaC109H118N8O17
Molecular Weight1812.18 g/mol
Exact Mass1810.86
IUPAC Name1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-methoxyphenyl)-(2-morpholin-4-ylethoxy)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]-2-pyridinyl]ethanone;1-(3,4-dimethoxyphenyl)-N-[5-[(2-methoxyphenyl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[5-[(2-methoxyphenyl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
SMILESCOc1ccc(C2(C(=O)Nc3ccc(Cc4ccccc4OC)cn3)CC2)cc1.COc1ccccc1C(OCCN1CCOCC1)c1ccc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1.COc1ccccc1C(c1ccc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1)N1CCCC1.COc1ccccc1Cc1ccc(NC(=O)C2(c3ccc(OC)c(OC)c3)CC2)nc1.[H][H].[H][H]
InChIInChI=1S/C31H34N2O6.C29H30N2O4.C25H26N2O4.C24H24N2O3.2H2/c1-35-26-5-3-2-4-25(26)30(37-17-14-33-12-15-36-16-13-33)22-6-8-24(32-20-22)19-29(34)31(10-11-31)23-7-9-27-28(18-23)39-21-38-27;1-33-24-7-3-2-6-23(24)28(31-14-4-5-15-31)20-8-10-22(30-18-20)17-27(32)29(12-13-29)21-9-11-25-26(16-21)35-19-34-25;1-29-20-7-5-4-6-18(20)14-17-8-11-23(26-16-17)27-24(28)25(12-13-25)19-9-10-21(30-2)22(15-19)31-3;1-28-20-10-8-19(9-11-20)24(13-14-24)23(27)26-22-12-7-17(16-25-22)15-18-5-3-4-6-21(18)29-2;;/h2-9,18,20,30H,10-17,19,21H2,1H3;2-3,6-11,16,18,28H,4-5,12-15,17,19H2,1H3;4-11,15-16H,12-14H2,1-3H3,(H,26,27,28);3-12,16H,13-15H2,1-2H3,(H,25,26,27);2*1H
InChIKeyANMREMATVMXWFN-UHFFFAOYSA-N
XLogP18.17
TPSA270.37 Ų
H-Bond Donors2
H-Bond Acceptors23
Rotatable Bonds34
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001812.18
LogP ≤ 518.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1023

Analyze 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-methoxyphenyl)-(2-morpholin-4-ylethoxy)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]-2-pyridinyl]ethanone;1-(3,4-dimethoxyphenyl)-N-[5-[(2-methoxyphenyl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[5-[(2-methoxyphenyl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-methoxyphenyl)-(2-morpholin-4-ylethoxy)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]-2-pyridinyl]ethanone;1-(3,4-dimethoxyphenyl)-N-[5-[(2-methoxyphenyl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[5-[(2-methoxyphenyl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?
The IUPAC name of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-methoxyphenyl)-(2-morpholin-4-ylethoxy)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]-2-pyridinyl]ethanone;1-(3,4-dimethoxyphenyl)-N-[5-[(2-methoxyphenyl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[5-[(2-methoxyphenyl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen (CID 157171347) is 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-methoxyphenyl)-(2-morpholin-4-ylethoxy)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]-2-pyridinyl]ethanone;1-(3,4-dimethoxyphenyl)-N-[5-[(2-methoxyphenyl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[5-[(2-methoxyphenyl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen.
What is the SMILES notation for 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-methoxyphenyl)-(2-morpholin-4-ylethoxy)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]-2-pyridinyl]ethanone;1-(3,4-dimethoxyphenyl)-N-[5-[(2-methoxyphenyl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[5-[(2-methoxyphenyl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?
The canonical SMILES for 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-methoxyphenyl)-(2-morpholin-4-ylethoxy)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]-2-pyridinyl]ethanone;1-(3,4-dimethoxyphenyl)-N-[5-[(2-methoxyphenyl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[5-[(2-methoxyphenyl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen is COc1ccc(C2(C(=O)Nc3ccc(Cc4ccccc4OC)cn3)CC2)cc1.COc1ccccc1C(OCCN1CCOCC1)c1ccc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1.COc1ccccc1C(c1ccc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1)N1CCCC1.COc1ccccc1Cc1ccc(NC(=O)C2(c3ccc(OC)c(OC)c3)CC2)nc1.[H][H].[H][H].
What is the InChIKey of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-methoxyphenyl)-(2-morpholin-4-ylethoxy)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]-2-pyridinyl]ethanone;1-(3,4-dimethoxyphenyl)-N-[5-[(2-methoxyphenyl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[5-[(2-methoxyphenyl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?
The InChIKey is ANMREMATVMXWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N2O6.C29H30N2O4.C25H26N2O4.C24H24N2O3.2H2/c1-35-26-5-3-2-4-25(26)30(37-17-14-33-12-15-36-16-13-33)22-6-8-24(32-20-22)19-29(34)31(10-11-31)23-7-9-27-28(18-23)39-21-38-27;1-33-24-7-3-2-6-23(24)28(31-14-4-5-15-31)20-8-10-22(30-18-20)17-27(32)29(12-13-29)21-9-11-25-26(16-21)35-19-34-25;1-29-20-7-5-4-6-18(20)14-17-8-11-23(26-16-17)27-24(28)25(12-13-25)19-9-10-21(30-2)22(15-19)31-3;1-28-20-10-8-19(9-11-20)24(13-14-24)23(27)26-22-12-7-17(16-25-22)15-18-5-3-4-6-21(18)29-2;;/h2-9,18,20,30H,10-17,19,21H2,1H3;2-3,6-11,16,18,28H,4-5,12-15,17,19H2,1H3;4-11,15-16H,12-14H2,1-3H3,(H,26,27,28);3-12,16H,13-15H2,1-2H3,(H,25,26,27);2*1H.
What are the key properties of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-methoxyphenyl)-(2-morpholin-4-ylethoxy)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]-2-pyridinyl]ethanone;1-(3,4-dimethoxyphenyl)-N-[5-[(2-methoxyphenyl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[5-[(2-methoxyphenyl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?
1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-methoxyphenyl)-(2-morpholin-4-ylethoxy)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]-2-pyridinyl]ethanone;1-(3,4-dimethoxyphenyl)-N-[5-[(2-methoxyphenyl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[5-[(2-methoxyphenyl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 1812.18 g/mol, XLogP of 18.17, 34 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-methoxyphenyl)-(2-morpholin-4-ylethoxy)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]-2-pyridinyl]ethanone;1-(3,4-dimethoxyphenyl)-N-[5-[(2-methoxyphenyl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[5-[(2-methoxyphenyl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 157171347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).