tert-butyl N-[7-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[(2S)-5-oxopyrrolidin-2-yl]methylcarbamoyloxymethyl]-2-pyridinyl]phenyl]phenyl]-1-methyl-3,4-dihydro-2H-1,8-naphthyridin-4-yl]-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate

C44H49Cl2N7O7 — CID 166693858

About tert-butyl N-[7-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[(2S)-5-oxopyrrolidin-2-yl]methylcarbamoyloxymethyl]-2-pyridinyl]phenyl]phenyl]-1-methyl-3,4-dihydro-2H-1,8-naphthyridin-4-yl]-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate

tert-butyl N-[7-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[(2S)-5-oxopyrrolidin-2-yl]methylcarbamoyloxymethyl]-2-pyridinyl]phenyl]phenyl]-1-methyl-3,4-dihydro-2H-1,8-naphthyridin-4-yl]-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate (PubChem CID 166693858) has the molecular formula C44H49Cl2N7O7 and a molecular weight of 858.82 g/mol. Its IUPAC name is tert-butyl N-[7-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[(2S)-5-oxopyrrolidin-2-yl]methylcarbamoyloxymethyl]-2-pyridinyl]phenyl]phenyl]-1-methyl-3,4-dihydro-2H-1,8-naphthyridin-4-yl]-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[7-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[(2S)-5-oxopyrrolidin-2-yl]methylcarbamoyloxymethyl]-2-pyridinyl]phenyl]phenyl]-1-methyl-3,4-dihydro-2H-1,8-naphthyridin-4-yl]-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate
• PubChem CID: 166693858
• Molecular Formula: C44H49Cl2N7O7
• Molecular Weight: 858.82 g/mol
• Exact Mass: 857.31
• IUPAC Name: tert-butyl N-[7-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[(2S)-5-oxopyrrolidin-2-yl]methylcarbamoyloxymethyl]-2-pyridinyl]phenyl]phenyl]-1-methyl-3,4-dihydro-2H-1,8-naphthyridin-4-yl]-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate
• SMILES: COc1nc(-c2cccc(-c3cccc(-c4ccc5c(n4)N(C)CCC5N(C[C@@H]4CCC(=O)N4)C(=O)OC(C)(C)C)c3Cl)c2Cl)ccc1COC(=O)NC[C@@H]1CCC(=O)N1
• InChI: InChI=1S/C44H49Cl2N7O7/c1-44(2,3)60-43(57)53(23-27-14-19-37(55)49-27)35-20-21-52(4)40-32(35)15-17-33(50-40)30-10-6-8-28(38(30)45)29-9-7-11-31(39(29)46)34-16-12-25(41(51-34)58-5)24-59-42(56)47-22-26-13-18-36(54)48-26/h6-12,15-17,26-27,35H,13-14,18-24H2,1-5H3,(H,47,56)(H,48,54)(H,49,55)/t26-,27-,35?/m0/s1
• InChIKey: OZZIOAVPOPFUOD-PAYYDGORSA-N
• XLogP: 7.69
• TPSA: 164.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	858.82
LogP ≤ 5	7.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[7-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[(2S)-5-oxopyrrolidin-2-yl]methylcarbamoyloxymethyl]-2-pyridinyl]phenyl]phenyl]-1-methyl-3,4-dihydro-2H-1,8-naphthyridin-4-yl]-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate?

The IUPAC name of tert-butyl N-[7-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[(2S)-5-oxopyrrolidin-2-yl]methylcarbamoyloxymethyl]-2-pyridinyl]phenyl]phenyl]-1-methyl-3,4-dihydro-2H-1,8-naphthyridin-4-yl]-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate (CID 166693858) is tert-butyl N-[7-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[(2S)-5-oxopyrrolidin-2-yl]methylcarbamoyloxymethyl]-2-pyridinyl]phenyl]phenyl]-1-methyl-3,4-dihydro-2H-1,8-naphthyridin-4-yl]-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate.

What is the SMILES notation for tert-butyl N-[7-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[(2S)-5-oxopyrrolidin-2-yl]methylcarbamoyloxymethyl]-2-pyridinyl]phenyl]phenyl]-1-methyl-3,4-dihydro-2H-1,8-naphthyridin-4-yl]-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate?

The canonical SMILES for tert-butyl N-[7-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[(2S)-5-oxopyrrolidin-2-yl]methylcarbamoyloxymethyl]-2-pyridinyl]phenyl]phenyl]-1-methyl-3,4-dihydro-2H-1,8-naphthyridin-4-yl]-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate is COc1nc(-c2cccc(-c3cccc(-c4ccc5c(n4)N(C)CCC5N(C[C@@H]4CCC(=O)N4)C(=O)OC(C)(C)C)c3Cl)c2Cl)ccc1COC(=O)NC[C@@H]1CCC(=O)N1.

What is the InChIKey of tert-butyl N-[7-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[(2S)-5-oxopyrrolidin-2-yl]methylcarbamoyloxymethyl]-2-pyridinyl]phenyl]phenyl]-1-methyl-3,4-dihydro-2H-1,8-naphthyridin-4-yl]-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate?

The InChIKey is OZZIOAVPOPFUOD-PAYYDGORSA-N. The full InChI is InChI=1S/C44H49Cl2N7O7/c1-44(2,3)60-43(57)53(23-27-14-19-37(55)49-27)35-20-21-52(4)40-32(35)15-17-33(50-40)30-10-6-8-28(38(30)45)29-9-7-11-31(39(29)46)34-16-12-25(41(51-34)58-5)24-59-42(56)47-22-26-13-18-36(54)48-26/h6-12,15-17,26-27,35H,13-14,18-24H2,1-5H3,(H,47,56)(H,48,54)(H,49,55)/t26-,27-,35?/m0/s1.

What are the key properties of tert-butyl N-[7-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[(2S)-5-oxopyrrolidin-2-yl]methylcarbamoyloxymethyl]-2-pyridinyl]phenyl]phenyl]-1-methyl-3,4-dihydro-2H-1,8-naphthyridin-4-yl]-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate?

tert-butyl N-[7-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[(2S)-5-oxopyrrolidin-2-yl]methylcarbamoyloxymethyl]-2-pyridinyl]phenyl]phenyl]-1-methyl-3,4-dihydro-2H-1,8-naphthyridin-4-yl]-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate has a molecular weight of 858.82 g/mol, XLogP of 7.69, 11 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[7-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[(2S)-5-oxopyrrolidin-2-yl]methylcarbamoyloxymethyl]-2-pyridinyl]phenyl]phenyl]-1-methyl-3,4-dihydro-2H-1,8-naphthyridin-4-yl]-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate is sourced from PubChem (CID 166693858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).