N-[5-tert-butyl-3-(1,3-dioxolan-2-yl)-2-methoxyphenyl]-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;N-(5-tert-butyl-3-formyl-2-methoxyphenyl)-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;N'-[[5-tert-butyl-2-methoxy-3-[(1-methyl-7-pyridin-4-yloxyindol-2-yl)methylamino]phenyl]methyl]-N,N,N'-trimethylethane-1,2-diamine

C88H101N11O11 — CID 158406809

About N-[5-tert-butyl-3-(1,3-dioxolan-2-yl)-2-methoxyphenyl]-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;N-(5-tert-butyl-3-formyl-2-methoxyphenyl)-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;N'-[[5-tert-butyl-2-methoxy-3-[(1-methyl-7-pyridin-4-yloxyindol-2-yl)methylamino]phenyl]methyl]-N,N,N'-trimethylethane-1,2-diamine

N-[5-tert-butyl-3-(1,3-dioxolan-2-yl)-2-methoxyphenyl]-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;N-(5-tert-butyl-3-formyl-2-methoxyphenyl)-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;N'-[[5-tert-butyl-2-methoxy-3-[(1-methyl-7-pyridin-4-yloxyindol-2-yl)methylamino]phenyl]methyl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 158406809) has the molecular formula C88H101N11O11 and a molecular weight of 1488.84 g/mol. Its IUPAC name is N-[5-tert-butyl-3-(1,3-dioxolan-2-yl)-2-methoxyphenyl]-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;N-(5-tert-butyl-3-formyl-2-methoxyphenyl)-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;N'-[[5-tert-butyl-2-methoxy-3-[(1-methyl-7-pyridin-4-yloxyindol-2-yl)methylamino]phenyl]methyl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

• Compound Name: N-[5-tert-butyl-3-(1,3-dioxolan-2-yl)-2-methoxyphenyl]-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;N-(5-tert-butyl-3-formyl-2-methoxyphenyl)-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;N'-[[5-tert-butyl-2-methoxy-3-[(1-methyl-7-pyridin-4-yloxyindol-2-yl)methylamino]phenyl]methyl]-N,N,N'-trimethylethane-1,2-diamine
• PubChem CID: 158406809
• Molecular Formula: C88H101N11O11
• Molecular Weight: 1488.84 g/mol
• Exact Mass: 1487.77
• IUPAC Name: N-[5-tert-butyl-3-(1,3-dioxolan-2-yl)-2-methoxyphenyl]-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;N-(5-tert-butyl-3-formyl-2-methoxyphenyl)-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;N'-[[5-tert-butyl-2-methoxy-3-[(1-methyl-7-pyridin-4-yloxyindol-2-yl)methylamino]phenyl]methyl]-N,N,N'-trimethylethane-1,2-diamine
• SMILES: COc1c(C=O)cc(C(C)(C)C)cc1NC(=O)c1cc2cccc(Oc3ccncc3)c2n1C.COc1c(CN(C)CCN(C)C)cc(C(C)(C)C)cc1NCc1cc2cccc(Oc3ccncc3)c2n1C.COc1c(NC(=O)c2cc3cccc(Oc4ccncc4)c3n2C)cc(C(C)(C)C)cc1C1OCCO1
• InChI: InChI=1S/C32H43N5O2.C29H31N3O5.C27H27N3O4/c1-32(2,3)25-18-24(22-36(6)17-16-35(4)5)31(38-8)28(20-25)34-21-26-19-23-10-9-11-29(30(23)37(26)7)39-27-12-14-33-15-13-27;1-29(2,3)19-16-21(28-35-13-14-36-28)26(34-5)22(17-19)31-27(33)23-15-18-7-6-8-24(25(18)32(23)4)37-20-9-11-30-12-10-20;1-27(2,3)19-13-18(16-31)25(33-5)21(15-19)29-26(32)22-14-17-7-6-8-23(24(17)30(22)4)34-20-9-11-28-12-10-20/h9-15,18-20,34H,16-17,21-22H2,1-8H3;6-12,15-17,28H,13-14H2,1-5H3,(H,31,33);6-16H,1-5H3,(H,29,32)
• InChIKey: GYUNUNNQXKXZBL-UHFFFAOYSA-N
• XLogP: 17.98
• TPSA: 221.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 23
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1488.84
LogP ≤ 5	17.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-tert-butyl-3-(1,3-dioxolan-2-yl)-2-methoxyphenyl]-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;N-(5-tert-butyl-3-formyl-2-methoxyphenyl)-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;N'-[[5-tert-butyl-2-methoxy-3-[(1-methyl-7-pyridin-4-yloxyindol-2-yl)methylamino]phenyl]methyl]-N,N,N'-trimethylethane-1,2-diamine?

The IUPAC name of N-[5-tert-butyl-3-(1,3-dioxolan-2-yl)-2-methoxyphenyl]-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;N-(5-tert-butyl-3-formyl-2-methoxyphenyl)-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;N'-[[5-tert-butyl-2-methoxy-3-[(1-methyl-7-pyridin-4-yloxyindol-2-yl)methylamino]phenyl]methyl]-N,N,N'-trimethylethane-1,2-diamine (CID 158406809) is N-[5-tert-butyl-3-(1,3-dioxolan-2-yl)-2-methoxyphenyl]-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;N-(5-tert-butyl-3-formyl-2-methoxyphenyl)-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;N'-[[5-tert-butyl-2-methoxy-3-[(1-methyl-7-pyridin-4-yloxyindol-2-yl)methylamino]phenyl]methyl]-N,N,N'-trimethylethane-1,2-diamine.

What is the SMILES notation for N-[5-tert-butyl-3-(1,3-dioxolan-2-yl)-2-methoxyphenyl]-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;N-(5-tert-butyl-3-formyl-2-methoxyphenyl)-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;N'-[[5-tert-butyl-2-methoxy-3-[(1-methyl-7-pyridin-4-yloxyindol-2-yl)methylamino]phenyl]methyl]-N,N,N'-trimethylethane-1,2-diamine?

The canonical SMILES for N-[5-tert-butyl-3-(1,3-dioxolan-2-yl)-2-methoxyphenyl]-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;N-(5-tert-butyl-3-formyl-2-methoxyphenyl)-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;N'-[[5-tert-butyl-2-methoxy-3-[(1-methyl-7-pyridin-4-yloxyindol-2-yl)methylamino]phenyl]methyl]-N,N,N'-trimethylethane-1,2-diamine is COc1c(C=O)cc(C(C)(C)C)cc1NC(=O)c1cc2cccc(Oc3ccncc3)c2n1C.COc1c(CN(C)CCN(C)C)cc(C(C)(C)C)cc1NCc1cc2cccc(Oc3ccncc3)c2n1C.COc1c(NC(=O)c2cc3cccc(Oc4ccncc4)c3n2C)cc(C(C)(C)C)cc1C1OCCO1.

What is the InChIKey of N-[5-tert-butyl-3-(1,3-dioxolan-2-yl)-2-methoxyphenyl]-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;N-(5-tert-butyl-3-formyl-2-methoxyphenyl)-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;N'-[[5-tert-butyl-2-methoxy-3-[(1-methyl-7-pyridin-4-yloxyindol-2-yl)methylamino]phenyl]methyl]-N,N,N'-trimethylethane-1,2-diamine?

The InChIKey is GYUNUNNQXKXZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43N5O2.C29H31N3O5.C27H27N3O4/c1-32(2,3)25-18-24(22-36(6)17-16-35(4)5)31(38-8)28(20-25)34-21-26-19-23-10-9-11-29(30(23)37(26)7)39-27-12-14-33-15-13-27;1-29(2,3)19-16-21(28-35-13-14-36-28)26(34-5)22(17-19)31-27(33)23-15-18-7-6-8-24(25(18)32(23)4)37-20-9-11-30-12-10-20;1-27(2,3)19-13-18(16-31)25(33-5)21(15-19)29-26(32)22-14-17-7-6-8-23(24(17)30(22)4)34-20-9-11-28-12-10-20/h9-15,18-20,34H,16-17,21-22H2,1-8H3;6-12,15-17,28H,13-14H2,1-5H3,(H,31,33);6-16H,1-5H3,(H,29,32).

What are the key properties of N-[5-tert-butyl-3-(1,3-dioxolan-2-yl)-2-methoxyphenyl]-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;N-(5-tert-butyl-3-formyl-2-methoxyphenyl)-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;N'-[[5-tert-butyl-2-methoxy-3-[(1-methyl-7-pyridin-4-yloxyindol-2-yl)methylamino]phenyl]methyl]-N,N,N'-trimethylethane-1,2-diamine?

N-[5-tert-butyl-3-(1,3-dioxolan-2-yl)-2-methoxyphenyl]-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;N-(5-tert-butyl-3-formyl-2-methoxyphenyl)-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;N'-[[5-tert-butyl-2-methoxy-3-[(1-methyl-7-pyridin-4-yloxyindol-2-yl)methylamino]phenyl]methyl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 1488.84 g/mol, XLogP of 17.98, 23 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-tert-butyl-3-(1,3-dioxolan-2-yl)-2-methoxyphenyl]-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;N-(5-tert-butyl-3-formyl-2-methoxyphenyl)-1-methyl-7-pyridin-4-yloxyindole-2-carboxamide;N'-[[5-tert-butyl-2-methoxy-3-[(1-methyl-7-pyridin-4-yloxyindol-2-yl)methylamino]phenyl]methyl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 158406809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).