19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-(4-pyridin-2-ylpiperazine-1-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;ethane

C41H49N5O5S — CID 145475001

IUPAC19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-(4-pyridin-2-ylpiperazine-1-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;ethane
SMILESCC.COc1ccc2c(c1)C1CC1(C(=O)N1CCN(c3ccccn3)CC1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C3CC3)cc21
InChIInChI=1S/C39H43N5O5S.C2H6/c1-49-27-11-15-29-31(22-27)32-23-39(32,38(46)43-19-17-42(18-20-43)34-9-5-6-16-40-34)24-44-33-21-26(37(45)41-50(47,48)28-12-13-28)10-14-30(33)35(36(29)44)25-7-3-2-4-8-25;1-2/h5-6,9-11,14-16,21-22,25,28,32H,2-4,7-8,12-13,17-20,23-24H2,1H3,(H,41,45);1-2H3
InChIKeyUCZVLAMOSDONFD-UHFFFAOYSA-N
MW723.94 g/mol
LogP6.84
Rot. Bonds7

About 19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-(4-pyridin-2-ylpiperazine-1-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;ethane

19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-(4-pyridin-2-ylpiperazine-1-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;ethane (PubChem CID 145475001) has the molecular formula C41H49N5O5S and a molecular weight of 723.94 g/mol. Its IUPAC name is 19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-(4-pyridin-2-ylpiperazine-1-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;ethane.

Molecular Properties

Compound Name19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-(4-pyridin-2-ylpiperazine-1-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;ethane
PubChem CID145475001
Molecular FormulaC41H49N5O5S
Molecular Weight723.94 g/mol
Exact Mass723.35
IUPAC Name19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-(4-pyridin-2-ylpiperazine-1-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;ethane
SMILESCC.COc1ccc2c(c1)C1CC1(C(=O)N1CCN(c3ccccn3)CC1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C3CC3)cc21
InChIInChI=1S/C39H43N5O5S.C2H6/c1-49-27-11-15-29-31(22-27)32-23-39(32,38(46)43-19-17-42(18-20-43)34-9-5-6-16-40-34)24-44-33-21-26(37(45)41-50(47,48)28-12-13-28)10-14-30(33)35(36(29)44)25-7-3-2-4-8-25;1-2/h5-6,9-11,14-16,21-22,25,28,32H,2-4,7-8,12-13,17-20,23-24H2,1H3,(H,41,45);1-2H3
InChIKeyUCZVLAMOSDONFD-UHFFFAOYSA-N
XLogP6.84
TPSA113.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.94
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-(4-pyridin-2-ylpiperazine-1-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-(4-pyridin-2-ylpiperazine-1-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;ethane?
The IUPAC name of 19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-(4-pyridin-2-ylpiperazine-1-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;ethane (CID 145475001) is 19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-(4-pyridin-2-ylpiperazine-1-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;ethane.
What is the SMILES notation for 19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-(4-pyridin-2-ylpiperazine-1-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;ethane?
The canonical SMILES for 19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-(4-pyridin-2-ylpiperazine-1-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;ethane is CC.COc1ccc2c(c1)C1CC1(C(=O)N1CCN(c3ccccn3)CC1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C3CC3)cc21.
What is the InChIKey of 19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-(4-pyridin-2-ylpiperazine-1-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;ethane?
The InChIKey is UCZVLAMOSDONFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H43N5O5S.C2H6/c1-49-27-11-15-29-31(22-27)32-23-39(32,38(46)43-19-17-42(18-20-43)34-9-5-6-16-40-34)24-44-33-21-26(37(45)41-50(47,48)28-12-13-28)10-14-30(33)35(36(29)44)25-7-3-2-4-8-25;1-2/h5-6,9-11,14-16,21-22,25,28,32H,2-4,7-8,12-13,17-20,23-24H2,1H3,(H,41,45);1-2H3.
What are the key properties of 19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-(4-pyridin-2-ylpiperazine-1-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;ethane?
19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-(4-pyridin-2-ylpiperazine-1-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;ethane has a molecular weight of 723.94 g/mol, XLogP of 6.84, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-(4-pyridin-2-ylpiperazine-1-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;ethane is sourced from PubChem (CID 145475001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).