(3R)-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-2-(3-phenylpropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide

C30H31N3O3 — CID 92740135

IUPAC(3R)-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-2-(3-phenylpropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCOc1ccccc1CNC(=O)[C@@]1(C)Cn2c(cc3ccccc32)C(=O)N1CCCc1ccccc1
InChIInChI=1S/C30H31N3O3/c1-30(29(35)31-20-24-15-7-9-17-27(24)36-2)21-32-25-16-8-6-14-23(25)19-26(32)28(34)33(30)18-10-13-22-11-4-3-5-12-22/h3-9,11-12,14-17,19H,10,13,18,20-21H2,1-2H3,(H,31,35)/t30-/m1/s1
InChIKeyOXMQZSQXEZDHAY-SSEXGKCCSA-N
MW481.60 g/mol
LogP4.81
Rot. Bonds8

About (3R)-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-2-(3-phenylpropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide

(3R)-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-2-(3-phenylpropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide (PubChem CID 92740135) has the molecular formula C30H31N3O3 and a molecular weight of 481.60 g/mol. Its IUPAC name is (3R)-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-2-(3-phenylpropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-2-(3-phenylpropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide
PubChem CID92740135
Molecular FormulaC30H31N3O3
Molecular Weight481.60 g/mol
Exact Mass481.24
IUPAC Name(3R)-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-2-(3-phenylpropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCOc1ccccc1CNC(=O)[C@@]1(C)Cn2c(cc3ccccc32)C(=O)N1CCCc1ccccc1
InChIInChI=1S/C30H31N3O3/c1-30(29(35)31-20-24-15-7-9-17-27(24)36-2)21-32-25-16-8-6-14-23(25)19-26(32)28(34)33(30)18-10-13-22-11-4-3-5-12-22/h3-9,11-12,14-17,19H,10,13,18,20-21H2,1-2H3,(H,31,35)/t30-/m1/s1
InChIKeyOXMQZSQXEZDHAY-SSEXGKCCSA-N
XLogP4.81
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-2-(3-phenylpropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46273213
(3R)-N,2-bis[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92740147
(3R)-2-ethyl-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92740158
2-[(2-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46273206
2-ethyl-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46340953
(3S)-2-cyclopropyl-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92740194
(3R)-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92740153
(3S)-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-2-(pyridin-2-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92740190
(3S)-N-benzyl-2-[(5-bromo-2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 98225429
(3R)-N-benzyl-2-[(5-bromo-2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 98225428
(3S)-N-benzyl-2-[2-(4-ethoxyphenyl)ethyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739961
(3R)-N-benzyl-3-methyl-2-(3-methylbutyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92740266

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-2-(3-phenylpropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide?
The IUPAC name of (3R)-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-2-(3-phenylpropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide (CID 92740135) is (3R)-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-2-(3-phenylpropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-2-(3-phenylpropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide?
The canonical SMILES for (3R)-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-2-(3-phenylpropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide is COc1ccccc1CNC(=O)[C@@]1(C)Cn2c(cc3ccccc32)C(=O)N1CCCc1ccccc1.
What is the InChIKey of (3R)-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-2-(3-phenylpropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide?
The InChIKey is OXMQZSQXEZDHAY-SSEXGKCCSA-N. The full InChI is InChI=1S/C30H31N3O3/c1-30(29(35)31-20-24-15-7-9-17-27(24)36-2)21-32-25-16-8-6-14-23(25)19-26(32)28(34)33(30)18-10-13-22-11-4-3-5-12-22/h3-9,11-12,14-17,19H,10,13,18,20-21H2,1-2H3,(H,31,35)/t30-/m1/s1.
What are the key properties of (3R)-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-2-(3-phenylpropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide?
(3R)-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-2-(3-phenylpropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide has a molecular weight of 481.60 g/mol, XLogP of 4.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-2-(3-phenylpropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 92740135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).