N-cyclopropyl-4-(13,20-dioxo-4,5,12,15,16,19,25-heptazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaen-16-yl)piperidine-1-carboxamide;26-hydroxy-6-methyl-22-oxa-2,5,6,9,18,19,24,30-octazapentacyclo[22.2.2.111,15.116,19.04,8]triaconta-4,7,11,13,15(30),16(29),17-heptaene-3,10,23-trione;15-(oxan-4-yl)-8-oxa-4,5,11,14,15,18-hexazatetracyclo[18.3.1.12,5.013,17]pentacosa-1(24),2(25),3,13,16,20,22-heptaene-12,19-dione

C73H85N23O12 — CID 159851010

About N-cyclopropyl-4-(13,20-dioxo-4,5,12,15,16,19,25-heptazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaen-16-yl)piperidine-1-carboxamide;26-hydroxy-6-methyl-22-oxa-2,5,6,9,18,19,24,30-octazapentacyclo[22.2.2.111,15.116,19.04,8]triaconta-4,7,11,13,15(30),16(29),17-heptaene-3,10,23-trione;15-(oxan-4-yl)-8-oxa-4,5,11,14,15,18-hexazatetracyclo[18.3.1.12,5.013,17]pentacosa-1(24),2(25),3,13,16,20,22-heptaene-12,19-dione

N-cyclopropyl-4-(13,20-dioxo-4,5,12,15,16,19,25-heptazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaen-16-yl)piperidine-1-carboxamide;26-hydroxy-6-methyl-22-oxa-2,5,6,9,18,19,24,30-octazapentacyclo[22.2.2.111,15.116,19.04,8]triaconta-4,7,11,13,15(30),16(29),17-heptaene-3,10,23-trione;15-(oxan-4-yl)-8-oxa-4,5,11,14,15,18-hexazatetracyclo[18.3.1.12,5.013,17]pentacosa-1(24),2(25),3,13,16,20,22-heptaene-12,19-dione (PubChem CID 159851010) has the molecular formula C73H85N23O12 and a molecular weight of 1476.63 g/mol. Its IUPAC name is N-cyclopropyl-4-(13,20-dioxo-4,5,12,15,16,19,25-heptazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaen-16-yl)piperidine-1-carboxamide;26-hydroxy-6-methyl-22-oxa-2,5,6,9,18,19,24,30-octazapentacyclo[22.2.2.111,15.116,19.04,8]triaconta-4,7,11,13,15(30),16(29),17-heptaene-3,10,23-trione;15-(oxan-4-yl)-8-oxa-4,5,11,14,15,18-hexazatetracyclo[18.3.1.12,5.013,17]pentacosa-1(24),2(25),3,13,16,20,22-heptaene-12,19-dione.

Molecular Properties

• Compound Name: N-cyclopropyl-4-(13,20-dioxo-4,5,12,15,16,19,25-heptazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaen-16-yl)piperidine-1-carboxamide;26-hydroxy-6-methyl-22-oxa-2,5,6,9,18,19,24,30-octazapentacyclo[22.2.2.111,15.116,19.04,8]triaconta-4,7,11,13,15(30),16(29),17-heptaene-3,10,23-trione;15-(oxan-4-yl)-8-oxa-4,5,11,14,15,18-hexazatetracyclo[18.3.1.12,5.013,17]pentacosa-1(24),2(25),3,13,16,20,22-heptaene-12,19-dione
• PubChem CID: 159851010
• Molecular Formula: C73H85N23O12
• Molecular Weight: 1476.63 g/mol
• Exact Mass: 1475.67
• IUPAC Name: N-cyclopropyl-4-(13,20-dioxo-4,5,12,15,16,19,25-heptazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaen-16-yl)piperidine-1-carboxamide;26-hydroxy-6-methyl-22-oxa-2,5,6,9,18,19,24,30-octazapentacyclo[22.2.2.111,15.116,19.04,8]triaconta-4,7,11,13,15(30),16(29),17-heptaene-3,10,23-trione;15-(oxan-4-yl)-8-oxa-4,5,11,14,15,18-hexazatetracyclo[18.3.1.12,5.013,17]pentacosa-1(24),2(25),3,13,16,20,22-heptaene-12,19-dione
• SMILES: Cn1cc2c(n1)C(=O)NC1CCN(CC1O)C(=O)OCCn1cc(cn1)-c1cccc(n1)C(=O)N2.O=C1Nc2cn(C3CCN(C(=O)NC4CC4)CC3)nc2C(=O)NCCCCCCn2cc(cn2)-c2cccc1n2.O=C1Nc2cn(C3CCOCC3)nc2C(=O)NCCOCCn2cc(cn2)-c2cccc1c2
• InChI: InChI=1S/C28H35N9O3.C23H26N6O4.C22H24N8O5/c38-26-23-7-5-6-22(32-23)19-16-30-36(17-19)13-4-2-1-3-12-29-27(39)25-24(33-26)18-37(34-25)21-10-14-35(15-11-21)28(40)31-20-8-9-20;30-22-17-3-1-2-16(12-17)18-13-25-28(14-18)7-11-33-10-6-24-23(31)21-20(26-22)15-29(27-21)19-4-8-32-9-5-19;1-28-11-17-19(27-28)21(33)25-15-5-6-29(12-18(15)31)22(34)35-8-7-30-10-13(9-23-30)14-3-2-4-16(24-14)20(32)26-17/h5-7,16-18,20-21H,1-4,8-15H2,(H,29,39)(H,31,40)(H,33,38);1-3,12-15,19H,4-11H2,(H,24,31)(H,26,30);2-4,9-11,15,18,31H,5-8,12H2,1H3,(H,25,33)(H,26,32)
• InChIKey: NPXXOZAFQJAKNW-UHFFFAOYSA-N
• XLogP: 5.56
• TPSA: 407.87 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 26
• Rotatable Bonds: 3
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1476.63
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(13,20-dioxo-4,5,12,15,16,19,25-heptazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaen-16-yl)piperidine-1-carboxamide;26-hydroxy-6-methyl-22-oxa-2,5,6,9,18,19,24,30-octazapentacyclo[22.2.2.111,15.116,19.04,8]triaconta-4,7,11,13,15(30),16(29),17-heptaene-3,10,23-trione;15-(oxan-4-yl)-8-oxa-4,5,11,14,15,18-hexazatetracyclo[18.3.1.12,5.013,17]pentacosa-1(24),2(25),3,13,16,20,22-heptaene-12,19-dione?

The IUPAC name of N-cyclopropyl-4-(13,20-dioxo-4,5,12,15,16,19,25-heptazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaen-16-yl)piperidine-1-carboxamide;26-hydroxy-6-methyl-22-oxa-2,5,6,9,18,19,24,30-octazapentacyclo[22.2.2.111,15.116,19.04,8]triaconta-4,7,11,13,15(30),16(29),17-heptaene-3,10,23-trione;15-(oxan-4-yl)-8-oxa-4,5,11,14,15,18-hexazatetracyclo[18.3.1.12,5.013,17]pentacosa-1(24),2(25),3,13,16,20,22-heptaene-12,19-dione (CID 159851010) is N-cyclopropyl-4-(13,20-dioxo-4,5,12,15,16,19,25-heptazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaen-16-yl)piperidine-1-carboxamide;26-hydroxy-6-methyl-22-oxa-2,5,6,9,18,19,24,30-octazapentacyclo[22.2.2.111,15.116,19.04,8]triaconta-4,7,11,13,15(30),16(29),17-heptaene-3,10,23-trione;15-(oxan-4-yl)-8-oxa-4,5,11,14,15,18-hexazatetracyclo[18.3.1.12,5.013,17]pentacosa-1(24),2(25),3,13,16,20,22-heptaene-12,19-dione.

What is the SMILES notation for N-cyclopropyl-4-(13,20-dioxo-4,5,12,15,16,19,25-heptazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaen-16-yl)piperidine-1-carboxamide;26-hydroxy-6-methyl-22-oxa-2,5,6,9,18,19,24,30-octazapentacyclo[22.2.2.111,15.116,19.04,8]triaconta-4,7,11,13,15(30),16(29),17-heptaene-3,10,23-trione;15-(oxan-4-yl)-8-oxa-4,5,11,14,15,18-hexazatetracyclo[18.3.1.12,5.013,17]pentacosa-1(24),2(25),3,13,16,20,22-heptaene-12,19-dione?

The canonical SMILES for N-cyclopropyl-4-(13,20-dioxo-4,5,12,15,16,19,25-heptazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaen-16-yl)piperidine-1-carboxamide;26-hydroxy-6-methyl-22-oxa-2,5,6,9,18,19,24,30-octazapentacyclo[22.2.2.111,15.116,19.04,8]triaconta-4,7,11,13,15(30),16(29),17-heptaene-3,10,23-trione;15-(oxan-4-yl)-8-oxa-4,5,11,14,15,18-hexazatetracyclo[18.3.1.12,5.013,17]pentacosa-1(24),2(25),3,13,16,20,22-heptaene-12,19-dione is Cn1cc2c(n1)C(=O)NC1CCN(CC1O)C(=O)OCCn1cc(cn1)-c1cccc(n1)C(=O)N2.O=C1Nc2cn(C3CCN(C(=O)NC4CC4)CC3)nc2C(=O)NCCCCCCn2cc(cn2)-c2cccc1n2.O=C1Nc2cn(C3CCOCC3)nc2C(=O)NCCOCCn2cc(cn2)-c2cccc1c2.

What is the InChIKey of N-cyclopropyl-4-(13,20-dioxo-4,5,12,15,16,19,25-heptazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaen-16-yl)piperidine-1-carboxamide;26-hydroxy-6-methyl-22-oxa-2,5,6,9,18,19,24,30-octazapentacyclo[22.2.2.111,15.116,19.04,8]triaconta-4,7,11,13,15(30),16(29),17-heptaene-3,10,23-trione;15-(oxan-4-yl)-8-oxa-4,5,11,14,15,18-hexazatetracyclo[18.3.1.12,5.013,17]pentacosa-1(24),2(25),3,13,16,20,22-heptaene-12,19-dione?

The InChIKey is NPXXOZAFQJAKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N9O3.C23H26N6O4.C22H24N8O5/c38-26-23-7-5-6-22(32-23)19-16-30-36(17-19)13-4-2-1-3-12-29-27(39)25-24(33-26)18-37(34-25)21-10-14-35(15-11-21)28(40)31-20-8-9-20;30-22-17-3-1-2-16(12-17)18-13-25-28(14-18)7-11-33-10-6-24-23(31)21-20(26-22)15-29(27-21)19-4-8-32-9-5-19;1-28-11-17-19(27-28)21(33)25-15-5-6-29(12-18(15)31)22(34)35-8-7-30-10-13(9-23-30)14-3-2-4-16(24-14)20(32)26-17/h5-7,16-18,20-21H,1-4,8-15H2,(H,29,39)(H,31,40)(H,33,38);1-3,12-15,19H,4-11H2,(H,24,31)(H,26,30);2-4,9-11,15,18,31H,5-8,12H2,1H3,(H,25,33)(H,26,32).

What are the key properties of N-cyclopropyl-4-(13,20-dioxo-4,5,12,15,16,19,25-heptazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaen-16-yl)piperidine-1-carboxamide;26-hydroxy-6-methyl-22-oxa-2,5,6,9,18,19,24,30-octazapentacyclo[22.2.2.111,15.116,19.04,8]triaconta-4,7,11,13,15(30),16(29),17-heptaene-3,10,23-trione;15-(oxan-4-yl)-8-oxa-4,5,11,14,15,18-hexazatetracyclo[18.3.1.12,5.013,17]pentacosa-1(24),2(25),3,13,16,20,22-heptaene-12,19-dione?

N-cyclopropyl-4-(13,20-dioxo-4,5,12,15,16,19,25-heptazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaen-16-yl)piperidine-1-carboxamide;26-hydroxy-6-methyl-22-oxa-2,5,6,9,18,19,24,30-octazapentacyclo[22.2.2.111,15.116,19.04,8]triaconta-4,7,11,13,15(30),16(29),17-heptaene-3,10,23-trione;15-(oxan-4-yl)-8-oxa-4,5,11,14,15,18-hexazatetracyclo[18.3.1.12,5.013,17]pentacosa-1(24),2(25),3,13,16,20,22-heptaene-12,19-dione has a molecular weight of 1476.63 g/mol, XLogP of 5.56, 3 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-4-(13,20-dioxo-4,5,12,15,16,19,25-heptazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaen-16-yl)piperidine-1-carboxamide;26-hydroxy-6-methyl-22-oxa-2,5,6,9,18,19,24,30-octazapentacyclo[22.2.2.111,15.116,19.04,8]triaconta-4,7,11,13,15(30),16(29),17-heptaene-3,10,23-trione;15-(oxan-4-yl)-8-oxa-4,5,11,14,15,18-hexazatetracyclo[18.3.1.12,5.013,17]pentacosa-1(24),2(25),3,13,16,20,22-heptaene-12,19-dione is sourced from PubChem (CID 159851010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).