(14R)-20-(aminomethylidene)-N-[1-[2-[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-4'-yl]ethyl]piperidin-4-yl]-N,14,23-trimethyl-19-methylimino-2-oxo-18-oxa-3,5,12,22-tetrazatetracyclo[19.3.1.04,12.06,11]pentacosa-1(25),4,6(11),7,9,21,23-heptaene-9-carboxamide

C48H56N10O6 — CID 174109333

About (14R)-20-(aminomethylidene)-N-[1-[2-[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-4'-yl]ethyl]piperidin-4-yl]-N,14,23-trimethyl-19-methylimino-2-oxo-18-oxa-3,5,12,22-tetrazatetracyclo[19.3.1.04,12.06,11]pentacosa-1(25),4,6(11),7,9,21,23-heptaene-9-carboxamide

(14R)-20-(aminomethylidene)-N-[1-[2-[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-4'-yl]ethyl]piperidin-4-yl]-N,14,23-trimethyl-19-methylimino-2-oxo-18-oxa-3,5,12,22-tetrazatetracyclo[19.3.1.04,12.06,11]pentacosa-1(25),4,6(11),7,9,21,23-heptaene-9-carboxamide (PubChem CID 174109333) has the molecular formula C48H56N10O6 and a molecular weight of 869.04 g/mol. Its IUPAC name is (14R)-20-(aminomethylidene)-N-[1-[2-[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-4'-yl]ethyl]piperidin-4-yl]-N,14,23-trimethyl-19-methylimino-2-oxo-18-oxa-3,5,12,22-tetrazatetracyclo[19.3.1.04,12.06,11]pentacosa-1(25),4,6(11),7,9,21,23-heptaene-9-carboxamide.

Molecular Properties

• Compound Name: (14R)-20-(aminomethylidene)-N-[1-[2-[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-4'-yl]ethyl]piperidin-4-yl]-N,14,23-trimethyl-19-methylimino-2-oxo-18-oxa-3,5,12,22-tetrazatetracyclo[19.3.1.04,12.06,11]pentacosa-1(25),4,6(11),7,9,21,23-heptaene-9-carboxamide
• PubChem CID: 174109333
• Molecular Formula: C48H56N10O6
• Molecular Weight: 869.04 g/mol
• Exact Mass: 868.44
• IUPAC Name: (14R)-20-(aminomethylidene)-N-[1-[2-[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-4'-yl]ethyl]piperidin-4-yl]-N,14,23-trimethyl-19-methylimino-2-oxo-18-oxa-3,5,12,22-tetrazatetracyclo[19.3.1.04,12.06,11]pentacosa-1(25),4,6(11),7,9,21,23-heptaene-9-carboxamide
• SMILES: C/N=C1\OCCC[C@@H](C)Cn2c(nc3ccc(C(=O)N(C)C4CCN(CCc5cccc6c5C5(CC5)C(=O)N6C5CCC(=O)NC5=O)CC4)cc32)NC(=O)c2cc(C)nc(c2)C1=CN
• InChI: InChI=1S/C48H56N10O6/c1-28-7-6-22-64-44(50-3)34(26-49)36-24-32(23-29(2)51-36)42(60)54-47-52-35-11-10-31(25-39(35)57(47)27-28)45(62)55(4)33-15-20-56(21-16-33)19-14-30-8-5-9-37-41(30)48(17-18-48)46(63)58(37)38-12-13-40(59)53-43(38)61/h5,8-11,23-26,28,33,38H,6-7,12-22,27,49H2,1-4H3,(H,52,54,60)(H,53,59,61)/b34-26?,50-44-/t28-,38?/m1/s1
• InChIKey: PLVKBSPLZHWHOL-WCXGXFAESA-N
• XLogP: 4.73
• TPSA: 197.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	869.04
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (14R)-20-(aminomethylidene)-N-[1-[2-[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-4'-yl]ethyl]piperidin-4-yl]-N,14,23-trimethyl-19-methylimino-2-oxo-18-oxa-3,5,12,22-tetrazatetracyclo[19.3.1.04,12.06,11]pentacosa-1(25),4,6(11),7,9,21,23-heptaene-9-carboxamide?

The IUPAC name of (14R)-20-(aminomethylidene)-N-[1-[2-[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-4'-yl]ethyl]piperidin-4-yl]-N,14,23-trimethyl-19-methylimino-2-oxo-18-oxa-3,5,12,22-tetrazatetracyclo[19.3.1.04,12.06,11]pentacosa-1(25),4,6(11),7,9,21,23-heptaene-9-carboxamide (CID 174109333) is (14R)-20-(aminomethylidene)-N-[1-[2-[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-4'-yl]ethyl]piperidin-4-yl]-N,14,23-trimethyl-19-methylimino-2-oxo-18-oxa-3,5,12,22-tetrazatetracyclo[19.3.1.04,12.06,11]pentacosa-1(25),4,6(11),7,9,21,23-heptaene-9-carboxamide.

What is the SMILES notation for (14R)-20-(aminomethylidene)-N-[1-[2-[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-4'-yl]ethyl]piperidin-4-yl]-N,14,23-trimethyl-19-methylimino-2-oxo-18-oxa-3,5,12,22-tetrazatetracyclo[19.3.1.04,12.06,11]pentacosa-1(25),4,6(11),7,9,21,23-heptaene-9-carboxamide?

The canonical SMILES for (14R)-20-(aminomethylidene)-N-[1-[2-[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-4'-yl]ethyl]piperidin-4-yl]-N,14,23-trimethyl-19-methylimino-2-oxo-18-oxa-3,5,12,22-tetrazatetracyclo[19.3.1.04,12.06,11]pentacosa-1(25),4,6(11),7,9,21,23-heptaene-9-carboxamide is C/N=C1\OCCC[C@@H](C)Cn2c(nc3ccc(C(=O)N(C)C4CCN(CCc5cccc6c5C5(CC5)C(=O)N6C5CCC(=O)NC5=O)CC4)cc32)NC(=O)c2cc(C)nc(c2)C1=CN.

What is the InChIKey of (14R)-20-(aminomethylidene)-N-[1-[2-[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-4'-yl]ethyl]piperidin-4-yl]-N,14,23-trimethyl-19-methylimino-2-oxo-18-oxa-3,5,12,22-tetrazatetracyclo[19.3.1.04,12.06,11]pentacosa-1(25),4,6(11),7,9,21,23-heptaene-9-carboxamide?

The InChIKey is PLVKBSPLZHWHOL-WCXGXFAESA-N. The full InChI is InChI=1S/C48H56N10O6/c1-28-7-6-22-64-44(50-3)34(26-49)36-24-32(23-29(2)51-36)42(60)54-47-52-35-11-10-31(25-39(35)57(47)27-28)45(62)55(4)33-15-20-56(21-16-33)19-14-30-8-5-9-37-41(30)48(17-18-48)46(63)58(37)38-12-13-40(59)53-43(38)61/h5,8-11,23-26,28,33,38H,6-7,12-22,27,49H2,1-4H3,(H,52,54,60)(H,53,59,61)/b34-26?,50-44-/t28-,38?/m1/s1.

What are the key properties of (14R)-20-(aminomethylidene)-N-[1-[2-[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-4'-yl]ethyl]piperidin-4-yl]-N,14,23-trimethyl-19-methylimino-2-oxo-18-oxa-3,5,12,22-tetrazatetracyclo[19.3.1.04,12.06,11]pentacosa-1(25),4,6(11),7,9,21,23-heptaene-9-carboxamide?

(14R)-20-(aminomethylidene)-N-[1-[2-[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-4'-yl]ethyl]piperidin-4-yl]-N,14,23-trimethyl-19-methylimino-2-oxo-18-oxa-3,5,12,22-tetrazatetracyclo[19.3.1.04,12.06,11]pentacosa-1(25),4,6(11),7,9,21,23-heptaene-9-carboxamide has a molecular weight of 869.04 g/mol, XLogP of 4.73, 6 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (14R)-20-(aminomethylidene)-N-[1-[2-[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-4'-yl]ethyl]piperidin-4-yl]-N,14,23-trimethyl-19-methylimino-2-oxo-18-oxa-3,5,12,22-tetrazatetracyclo[19.3.1.04,12.06,11]pentacosa-1(25),4,6(11),7,9,21,23-heptaene-9-carboxamide is sourced from PubChem (CID 174109333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).