methyl N-[(2S)-3-methyl-1-[(2S,5S)-2-methyl-5-[5-[9-methyl-8-(methylamino)-5H-naphtho[2,3-c]isochromen-3-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate

C34H39N5O4 — CID 155196169

About methyl N-[(2S)-3-methyl-1-[(2S,5S)-2-methyl-5-[5-[9-methyl-8-(methylamino)-5H-naphtho[2,3-c]isochromen-3-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate

methyl N-[(2S)-3-methyl-1-[(2S,5S)-2-methyl-5-[5-[9-methyl-8-(methylamino)-5H-naphtho[2,3-c]isochromen-3-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate (PubChem CID 155196169) has the molecular formula C34H39N5O4 and a molecular weight of 581.72 g/mol. Its IUPAC name is methyl N-[(2S)-3-methyl-1-[(2S,5S)-2-methyl-5-[5-[9-methyl-8-(methylamino)-5H-naphtho[2,3-c]isochromen-3-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate.

Molecular Properties

• Compound Name: methyl N-[(2S)-3-methyl-1-[(2S,5S)-2-methyl-5-[5-[9-methyl-8-(methylamino)-5H-naphtho[2,3-c]isochromen-3-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate
• PubChem CID: 155196169
• Molecular Formula: C34H39N5O4
• Molecular Weight: 581.72 g/mol
• Exact Mass: 581.30
• IUPAC Name: methyl N-[(2S)-3-methyl-1-[(2S,5S)-2-methyl-5-[5-[9-methyl-8-(methylamino)-5H-naphtho[2,3-c]isochromen-3-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate
• SMILES: CNc1c(C)ccc2cc3c(cc12)OCc1cc(-c2cnc([C@@H]4CC[C@H](C)N4C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]2)ccc1-3
• InChI: InChI=1S/C34H39N5O4/c1-18(2)30(38-34(41)42-6)33(40)39-20(4)8-12-28(39)32-36-16-27(37-32)22-10-11-24-23(13-22)17-43-29-15-25-21(14-26(24)29)9-7-19(3)31(25)35-5/h7,9-11,13-16,18,20,28,30,35H,8,12,17H2,1-6H3,(H,36,37)(H,38,41)/t20-,28-,30-/m0/s1
• InChIKey: KXNIPRSIMONHBQ-IJWSHSPWSA-N
• XLogP: 6.57
• TPSA: 108.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	581.72
LogP ≤ 5	6.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2S)-3-methyl-1-[(2S,5S)-2-methyl-5-[5-[9-methyl-8-(methylamino)-5H-naphtho[2,3-c]isochromen-3-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate?

The IUPAC name of methyl N-[(2S)-3-methyl-1-[(2S,5S)-2-methyl-5-[5-[9-methyl-8-(methylamino)-5H-naphtho[2,3-c]isochromen-3-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate (CID 155196169) is methyl N-[(2S)-3-methyl-1-[(2S,5S)-2-methyl-5-[5-[9-methyl-8-(methylamino)-5H-naphtho[2,3-c]isochromen-3-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate.

What is the SMILES notation for methyl N-[(2S)-3-methyl-1-[(2S,5S)-2-methyl-5-[5-[9-methyl-8-(methylamino)-5H-naphtho[2,3-c]isochromen-3-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate?

The canonical SMILES for methyl N-[(2S)-3-methyl-1-[(2S,5S)-2-methyl-5-[5-[9-methyl-8-(methylamino)-5H-naphtho[2,3-c]isochromen-3-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate is CNc1c(C)ccc2cc3c(cc12)OCc1cc(-c2cnc([C@@H]4CC[C@H](C)N4C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]2)ccc1-3.

What is the InChIKey of methyl N-[(2S)-3-methyl-1-[(2S,5S)-2-methyl-5-[5-[9-methyl-8-(methylamino)-5H-naphtho[2,3-c]isochromen-3-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate?

The InChIKey is KXNIPRSIMONHBQ-IJWSHSPWSA-N. The full InChI is InChI=1S/C34H39N5O4/c1-18(2)30(38-34(41)42-6)33(40)39-20(4)8-12-28(39)32-36-16-27(37-32)22-10-11-24-23(13-22)17-43-29-15-25-21(14-26(24)29)9-7-19(3)31(25)35-5/h7,9-11,13-16,18,20,28,30,35H,8,12,17H2,1-6H3,(H,36,37)(H,38,41)/t20-,28-,30-/m0/s1.

What are the key properties of methyl N-[(2S)-3-methyl-1-[(2S,5S)-2-methyl-5-[5-[9-methyl-8-(methylamino)-5H-naphtho[2,3-c]isochromen-3-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate?

methyl N-[(2S)-3-methyl-1-[(2S,5S)-2-methyl-5-[5-[9-methyl-8-(methylamino)-5H-naphtho[2,3-c]isochromen-3-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate has a molecular weight of 581.72 g/mol, XLogP of 6.57, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[(2S)-3-methyl-1-[(2S,5S)-2-methyl-5-[5-[9-methyl-8-(methylamino)-5H-naphtho[2,3-c]isochromen-3-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 155196169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).