(18R)-23-methyl-10-morpholin-4-yl-5,14,23,31-tetrazapentacyclo[23.2.2.12,6.18,12.014,18]hentriaconta-1(28),2(31),3,5,8(30),9,11,25(29),26-nonaen-19-one

C32H39N5O2 — CID 58102573

About (18R)-23-methyl-10-morpholin-4-yl-5,14,23,31-tetrazapentacyclo[23.2.2.12,6.18,12.014,18]hentriaconta-1(28),2(31),3,5,8(30),9,11,25(29),26-nonaen-19-one

(18R)-23-methyl-10-morpholin-4-yl-5,14,23,31-tetrazapentacyclo[23.2.2.12,6.18,12.014,18]hentriaconta-1(28),2(31),3,5,8(30),9,11,25(29),26-nonaen-19-one (PubChem CID 58102573) has the molecular formula C32H39N5O2 and a molecular weight of 525.70 g/mol. Its IUPAC name is (18R)-23-methyl-10-morpholin-4-yl-5,14,23,31-tetrazapentacyclo[23.2.2.12,6.18,12.014,18]hentriaconta-1(28),2(31),3,5,8(30),9,11,25(29),26-nonaen-19-one.

Molecular Properties

• Compound Name: (18R)-23-methyl-10-morpholin-4-yl-5,14,23,31-tetrazapentacyclo[23.2.2.12,6.18,12.014,18]hentriaconta-1(28),2(31),3,5,8(30),9,11,25(29),26-nonaen-19-one
• PubChem CID: 58102573
• Molecular Formula: C32H39N5O2
• Molecular Weight: 525.70 g/mol
• Exact Mass: 525.31
• IUPAC Name: (18R)-23-methyl-10-morpholin-4-yl-5,14,23,31-tetrazapentacyclo[23.2.2.12,6.18,12.014,18]hentriaconta-1(28),2(31),3,5,8(30),9,11,25(29),26-nonaen-19-one
• SMILES: CN1CCCC(=O)[C@H]2CCCN2Cc2cc(cc(N3CCOCC3)c2)Cc2nccc(n2)-c2ccc(cc2)C1
• InChI: InChI=1S/C32H39N5O2/c1-35-12-3-5-31(38)30-4-2-13-37(30)23-26-18-25(19-28(20-26)36-14-16-39-17-15-36)21-32-33-11-10-29(34-32)27-8-6-24(22-35)7-9-27/h6-11,18-20,30H,2-5,12-17,21-23H2,1H3/t30-/m1/s1
• InChIKey: LJAQJSNUEJPAMB-SSEXGKCCSA-N
• XLogP: 4.33
• TPSA: 61.80 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 1
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.70
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (18R)-23-methyl-10-morpholin-4-yl-5,14,23,31-tetrazapentacyclo[23.2.2.12,6.18,12.014,18]hentriaconta-1(28),2(31),3,5,8(30),9,11,25(29),26-nonaen-19-one?

The IUPAC name of (18R)-23-methyl-10-morpholin-4-yl-5,14,23,31-tetrazapentacyclo[23.2.2.12,6.18,12.014,18]hentriaconta-1(28),2(31),3,5,8(30),9,11,25(29),26-nonaen-19-one (CID 58102573) is (18R)-23-methyl-10-morpholin-4-yl-5,14,23,31-tetrazapentacyclo[23.2.2.12,6.18,12.014,18]hentriaconta-1(28),2(31),3,5,8(30),9,11,25(29),26-nonaen-19-one.

What is the SMILES notation for (18R)-23-methyl-10-morpholin-4-yl-5,14,23,31-tetrazapentacyclo[23.2.2.12,6.18,12.014,18]hentriaconta-1(28),2(31),3,5,8(30),9,11,25(29),26-nonaen-19-one?

The canonical SMILES for (18R)-23-methyl-10-morpholin-4-yl-5,14,23,31-tetrazapentacyclo[23.2.2.12,6.18,12.014,18]hentriaconta-1(28),2(31),3,5,8(30),9,11,25(29),26-nonaen-19-one is CN1CCCC(=O)[C@H]2CCCN2Cc2cc(cc(N3CCOCC3)c2)Cc2nccc(n2)-c2ccc(cc2)C1.

What is the InChIKey of (18R)-23-methyl-10-morpholin-4-yl-5,14,23,31-tetrazapentacyclo[23.2.2.12,6.18,12.014,18]hentriaconta-1(28),2(31),3,5,8(30),9,11,25(29),26-nonaen-19-one?

The InChIKey is LJAQJSNUEJPAMB-SSEXGKCCSA-N. The full InChI is InChI=1S/C32H39N5O2/c1-35-12-3-5-31(38)30-4-2-13-37(30)23-26-18-25(19-28(20-26)36-14-16-39-17-15-36)21-32-33-11-10-29(34-32)27-8-6-24(22-35)7-9-27/h6-11,18-20,30H,2-5,12-17,21-23H2,1H3/t30-/m1/s1.

What are the key properties of (18R)-23-methyl-10-morpholin-4-yl-5,14,23,31-tetrazapentacyclo[23.2.2.12,6.18,12.014,18]hentriaconta-1(28),2(31),3,5,8(30),9,11,25(29),26-nonaen-19-one?

(18R)-23-methyl-10-morpholin-4-yl-5,14,23,31-tetrazapentacyclo[23.2.2.12,6.18,12.014,18]hentriaconta-1(28),2(31),3,5,8(30),9,11,25(29),26-nonaen-19-one has a molecular weight of 525.70 g/mol, XLogP of 4.33, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (18R)-23-methyl-10-morpholin-4-yl-5,14,23,31-tetrazapentacyclo[23.2.2.12,6.18,12.014,18]hentriaconta-1(28),2(31),3,5,8(30),9,11,25(29),26-nonaen-19-one is sourced from PubChem (CID 58102573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).