19-cyclohexyl-N-cyclopropylsulfonyl-10-(1,4-diazabicyclo[3.2.2]nonane-4-carbonyl)-5-methoxy-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

C37H44N4O5S — CID 25143140

About 19-cyclohexyl-N-cyclopropylsulfonyl-10-(1,4-diazabicyclo[3.2.2]nonane-4-carbonyl)-5-methoxy-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

19-cyclohexyl-N-cyclopropylsulfonyl-10-(1,4-diazabicyclo[3.2.2]nonane-4-carbonyl)-5-methoxy-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 (PubChem CID 25143140) has the molecular formula C37H44N4O5S and a molecular weight of 656.85 g/mol. Its IUPAC name is 19-cyclohexyl-N-cyclopropylsulfonyl-10-(1,4-diazabicyclo[3.2.2]nonane-4-carbonyl)-5-methoxy-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.

Molecular Properties

• Compound Name: 19-cyclohexyl-N-cyclopropylsulfonyl-10-(1,4-diazabicyclo[3.2.2]nonane-4-carbonyl)-5-methoxy-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
• PubChem CID: 25143140
• Molecular Formula: C37H44N4O5S
• Molecular Weight: 656.85 g/mol
• Exact Mass: 656.30
• IUPAC Name: 19-cyclohexyl-N-cyclopropylsulfonyl-10-(1,4-diazabicyclo[3.2.2]nonane-4-carbonyl)-5-methoxy-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
• SMILES: COc1ccc2c(c1)C1CC1(C(=O)N1CCN3CCC1CC3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C3CC3)cc21
• InChI: InChI=1S/C37H44N4O5S/c1-46-26-8-12-28-30(20-26)31-21-37(31,36(43)40-18-17-39-15-13-25(40)14-16-39)22-41-32-19-24(35(42)38-47(44,45)27-9-10-27)7-11-29(32)33(34(28)41)23-5-3-2-4-6-23/h7-8,11-12,19-20,23,25,27,31H,2-6,9-10,13-18,21-22H2,1H3,(H,38,42)
• InChIKey: FZICZBIGBODOAI-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 100.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	656.85
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 19-cyclohexyl-N-cyclopropylsulfonyl-10-(1,4-diazabicyclo[3.2.2]nonane-4-carbonyl)-5-methoxy-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?

The IUPAC name of 19-cyclohexyl-N-cyclopropylsulfonyl-10-(1,4-diazabicyclo[3.2.2]nonane-4-carbonyl)-5-methoxy-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 (CID 25143140) is 19-cyclohexyl-N-cyclopropylsulfonyl-10-(1,4-diazabicyclo[3.2.2]nonane-4-carbonyl)-5-methoxy-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.

What is the SMILES notation for 19-cyclohexyl-N-cyclopropylsulfonyl-10-(1,4-diazabicyclo[3.2.2]nonane-4-carbonyl)-5-methoxy-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?

The canonical SMILES for 19-cyclohexyl-N-cyclopropylsulfonyl-10-(1,4-diazabicyclo[3.2.2]nonane-4-carbonyl)-5-methoxy-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 is COc1ccc2c(c1)C1CC1(C(=O)N1CCN3CCC1CC3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C3CC3)cc21.

What is the InChIKey of 19-cyclohexyl-N-cyclopropylsulfonyl-10-(1,4-diazabicyclo[3.2.2]nonane-4-carbonyl)-5-methoxy-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?

The InChIKey is FZICZBIGBODOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H44N4O5S/c1-46-26-8-12-28-30(20-26)31-21-37(31,36(43)40-18-17-39-15-13-25(40)14-16-39)22-41-32-19-24(35(42)38-47(44,45)27-9-10-27)7-11-29(32)33(34(28)41)23-5-3-2-4-6-23/h7-8,11-12,19-20,23,25,27,31H,2-6,9-10,13-18,21-22H2,1H3,(H,38,42).

What are the key properties of 19-cyclohexyl-N-cyclopropylsulfonyl-10-(1,4-diazabicyclo[3.2.2]nonane-4-carbonyl)-5-methoxy-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?

19-cyclohexyl-N-cyclopropylsulfonyl-10-(1,4-diazabicyclo[3.2.2]nonane-4-carbonyl)-5-methoxy-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 has a molecular weight of 656.85 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 19-cyclohexyl-N-cyclopropylsulfonyl-10-(1,4-diazabicyclo[3.2.2]nonane-4-carbonyl)-5-methoxy-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 is sourced from PubChem (CID 25143140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).