tert-butyl N-(1-acetylpiperidin-4-yl)-N-[[6-[2-chloro-3-[3-chloro-2-(2-formyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl]carbamate;tert-butyl N-(1-acetylpiperidin-4-yl)-N-[[6-[2-chloro-3-[3-chloro-2-[2-[[2-hydroxyethyl(methyl)amino]methyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl]carbamate

C79H87Cl4N15O12 — CID 175802803

About tert-butyl N-(1-acetylpiperidin-4-yl)-N-[[6-[2-chloro-3-[3-chloro-2-(2-formyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl]carbamate;tert-butyl N-(1-acetylpiperidin-4-yl)-N-[[6-[2-chloro-3-[3-chloro-2-[2-[[2-hydroxyethyl(methyl)amino]methyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl]carbamate

tert-butyl N-(1-acetylpiperidin-4-yl)-N-[[6-[2-chloro-3-[3-chloro-2-(2-formyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl]carbamate;tert-butyl N-(1-acetylpiperidin-4-yl)-N-[[6-[2-chloro-3-[3-chloro-2-[2-[[2-hydroxyethyl(methyl)amino]methyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl]carbamate (PubChem CID 175802803) has the molecular formula C79H87Cl4N15O12 and a molecular weight of 1580.47 g/mol. Its IUPAC name is tert-butyl N-(1-acetylpiperidin-4-yl)-N-[[6-[2-chloro-3-[3-chloro-2-(2-formyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl]carbamate;tert-butyl N-(1-acetylpiperidin-4-yl)-N-[[6-[2-chloro-3-[3-chloro-2-[2-[[2-hydroxyethyl(methyl)amino]methyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-(1-acetylpiperidin-4-yl)-N-[[6-[2-chloro-3-[3-chloro-2-(2-formyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl]carbamate;tert-butyl N-(1-acetylpiperidin-4-yl)-N-[[6-[2-chloro-3-[3-chloro-2-[2-[[2-hydroxyethyl(methyl)amino]methyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl]carbamate
• PubChem CID: 175802803
• Molecular Formula: C79H87Cl4N15O12
• Molecular Weight: 1580.47 g/mol
• Exact Mass: 1577.54
• IUPAC Name: tert-butyl N-(1-acetylpiperidin-4-yl)-N-[[6-[2-chloro-3-[3-chloro-2-(2-formyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl]carbamate;tert-butyl N-(1-acetylpiperidin-4-yl)-N-[[6-[2-chloro-3-[3-chloro-2-[2-[[2-hydroxyethyl(methyl)amino]methyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl]carbamate
• SMILES: COc1nc(-c2cccc(-c3ccnc(-c4cc(OC)c5nc(C=O)nn5c4)c3Cl)c2Cl)ccc1CN(C(=O)OC(C)(C)C)C1CCN(C(C)=O)CC1.COc1nc(-c2cccc(-c3ccnc(-c4cc(OC)c5nc(CN(C)CCO)nn5c4)c3Cl)c2Cl)ccc1CN(C(=O)OC(C)(C)C)C1CCN(C(C)=O)CC1
• InChI: InChI=1S/C41H48Cl2N8O6.C38H39Cl2N7O6/c1-25(53)49-17-14-28(15-18-49)50(40(54)57-41(2,3)4)22-26-11-12-32(45-39(26)56-7)31-10-8-9-29(35(31)42)30-13-16-44-37(36(30)43)27-21-33(55-6)38-46-34(47-51(38)23-27)24-48(5)19-20-52;1-22(49)45-16-13-25(14-17-45)46(37(50)53-38(2,3)4)19-23-10-11-29(42-36(23)52-6)28-9-7-8-26(32(28)39)27-12-15-41-34(33(27)40)24-18-30(51-5)35-43-31(21-48)44-47(35)20-24/h8-13,16,21,23,28,52H,14-15,17-20,22,24H2,1-7H3;7-12,15,18,20-21,25H,13-14,16-17,19H2,1-6H3
• InChIKey: VMPFWKHUNZDFOB-UHFFFAOYSA-N
• XLogP: 14.42
• TPSA: 289.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 21
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1580.47
LogP ≤ 5	14.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-acetylpiperidin-4-yl)-N-[[6-[2-chloro-3-[3-chloro-2-(2-formyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl]carbamate;tert-butyl N-(1-acetylpiperidin-4-yl)-N-[[6-[2-chloro-3-[3-chloro-2-[2-[[2-hydroxyethyl(methyl)amino]methyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl]carbamate?

The IUPAC name of tert-butyl N-(1-acetylpiperidin-4-yl)-N-[[6-[2-chloro-3-[3-chloro-2-(2-formyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl]carbamate;tert-butyl N-(1-acetylpiperidin-4-yl)-N-[[6-[2-chloro-3-[3-chloro-2-[2-[[2-hydroxyethyl(methyl)amino]methyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl]carbamate (CID 175802803) is tert-butyl N-(1-acetylpiperidin-4-yl)-N-[[6-[2-chloro-3-[3-chloro-2-(2-formyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl]carbamate;tert-butyl N-(1-acetylpiperidin-4-yl)-N-[[6-[2-chloro-3-[3-chloro-2-[2-[[2-hydroxyethyl(methyl)amino]methyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl]carbamate.

What is the SMILES notation for tert-butyl N-(1-acetylpiperidin-4-yl)-N-[[6-[2-chloro-3-[3-chloro-2-(2-formyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl]carbamate;tert-butyl N-(1-acetylpiperidin-4-yl)-N-[[6-[2-chloro-3-[3-chloro-2-[2-[[2-hydroxyethyl(methyl)amino]methyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl]carbamate?

The canonical SMILES for tert-butyl N-(1-acetylpiperidin-4-yl)-N-[[6-[2-chloro-3-[3-chloro-2-(2-formyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl]carbamate;tert-butyl N-(1-acetylpiperidin-4-yl)-N-[[6-[2-chloro-3-[3-chloro-2-[2-[[2-hydroxyethyl(methyl)amino]methyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl]carbamate is COc1nc(-c2cccc(-c3ccnc(-c4cc(OC)c5nc(C=O)nn5c4)c3Cl)c2Cl)ccc1CN(C(=O)OC(C)(C)C)C1CCN(C(C)=O)CC1.COc1nc(-c2cccc(-c3ccnc(-c4cc(OC)c5nc(CN(C)CCO)nn5c4)c3Cl)c2Cl)ccc1CN(C(=O)OC(C)(C)C)C1CCN(C(C)=O)CC1.

What is the InChIKey of tert-butyl N-(1-acetylpiperidin-4-yl)-N-[[6-[2-chloro-3-[3-chloro-2-(2-formyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl]carbamate;tert-butyl N-(1-acetylpiperidin-4-yl)-N-[[6-[2-chloro-3-[3-chloro-2-[2-[[2-hydroxyethyl(methyl)amino]methyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl]carbamate?

The InChIKey is VMPFWKHUNZDFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H48Cl2N8O6.C38H39Cl2N7O6/c1-25(53)49-17-14-28(15-18-49)50(40(54)57-41(2,3)4)22-26-11-12-32(45-39(26)56-7)31-10-8-9-29(35(31)42)30-13-16-44-37(36(30)43)27-21-33(55-6)38-46-34(47-51(38)23-27)24-48(5)19-20-52;1-22(49)45-16-13-25(14-17-45)46(37(50)53-38(2,3)4)19-23-10-11-29(42-36(23)52-6)28-9-7-8-26(32(28)39)27-12-15-41-34(33(27)40)24-18-30(51-5)35-43-31(21-48)44-47(35)20-24/h8-13,16,21,23,28,52H,14-15,17-20,22,24H2,1-7H3;7-12,15,18,20-21,25H,13-14,16-17,19H2,1-6H3.

What are the key properties of tert-butyl N-(1-acetylpiperidin-4-yl)-N-[[6-[2-chloro-3-[3-chloro-2-(2-formyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl]carbamate;tert-butyl N-(1-acetylpiperidin-4-yl)-N-[[6-[2-chloro-3-[3-chloro-2-[2-[[2-hydroxyethyl(methyl)amino]methyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl]carbamate?

tert-butyl N-(1-acetylpiperidin-4-yl)-N-[[6-[2-chloro-3-[3-chloro-2-(2-formyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl]carbamate;tert-butyl N-(1-acetylpiperidin-4-yl)-N-[[6-[2-chloro-3-[3-chloro-2-[2-[[2-hydroxyethyl(methyl)amino]methyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl]carbamate has a molecular weight of 1580.47 g/mol, XLogP of 14.42, 21 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-(1-acetylpiperidin-4-yl)-N-[[6-[2-chloro-3-[3-chloro-2-(2-formyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl]carbamate;tert-butyl N-(1-acetylpiperidin-4-yl)-N-[[6-[2-chloro-3-[3-chloro-2-[2-[[2-hydroxyethyl(methyl)amino]methyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl]carbamate is sourced from PubChem (CID 175802803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).