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

C29H29N3O4 — CID 92740147

IUPAC(3R)-N,2-bis[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCOc1ccccc1CNC(=O)[C@@]1(C)Cn2c(cc3ccccc32)C(=O)N1Cc1ccccc1OC
InChIInChI=1S/C29H29N3O4/c1-29(28(34)30-17-21-11-5-8-14-25(21)35-2)19-31-23-13-7-4-10-20(23)16-24(31)27(33)32(29)18-22-12-6-9-15-26(22)36-3/h4-16H,17-19H2,1-3H3,(H,30,34)/t29-/m1/s1
InChIKeyDLELNEDKKIHMOX-GDLZYMKVSA-N
MW483.57 g/mol
LogP4.39
Rot. Bonds7

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

(3R)-N,2-bis[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (PubChem CID 92740147) has the molecular formula C29H29N3O4 and a molecular weight of 483.57 g/mol. Its IUPAC name is (3R)-N,2-bis[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

Compound Name(3R)-N,2-bis[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
PubChem CID92740147
Molecular FormulaC29H29N3O4
Molecular Weight483.57 g/mol
Exact Mass483.22
IUPAC Name(3R)-N,2-bis[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCOc1ccccc1CNC(=O)[C@@]1(C)Cn2c(cc3ccccc32)C(=O)N1Cc1ccccc1OC
InChIInChI=1S/C29H29N3O4/c1-29(28(34)30-17-21-11-5-8-14-25(21)35-2)19-31-23-13-7-4-10-20(23)16-24(31)27(33)32(29)18-22-12-6-9-15-26(22)36-3/h4-16H,17-19H2,1-3H3,(H,30,34)/t29-/m1/s1
InChIKeyDLELNEDKKIHMOX-GDLZYMKVSA-N
XLogP4.39
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[(2-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46273206
(3R)-2-ethyl-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92740158
(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
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-(3-phenylpropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92740135
N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-2-(3-phenylpropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46273213
(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-[(5-bromo-2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 98225429
(3R)-N-benzyl-2-[(2-chlorophenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92740254
(11R)-10-[(2,4-dimethoxyphenyl)methyl]-N-[(2-methoxyphenyl)methyl]-11-methyl-9-oxo-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene-11-carboxamide
CID 93056617

Frequently Asked Questions

What is the IUPAC name of (3R)-N,2-bis[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The IUPAC name of (3R)-N,2-bis[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (CID 92740147) is (3R)-N,2-bis[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.
What is the SMILES notation for (3R)-N,2-bis[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The canonical SMILES for (3R)-N,2-bis[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is COc1ccccc1CNC(=O)[C@@]1(C)Cn2c(cc3ccccc32)C(=O)N1Cc1ccccc1OC.
What is the InChIKey of (3R)-N,2-bis[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The InChIKey is DLELNEDKKIHMOX-GDLZYMKVSA-N. The full InChI is InChI=1S/C29H29N3O4/c1-29(28(34)30-17-21-11-5-8-14-25(21)35-2)19-31-23-13-7-4-10-20(23)16-24(31)27(33)32(29)18-22-12-6-9-15-26(22)36-3/h4-16H,17-19H2,1-3H3,(H,30,34)/t29-/m1/s1.
What are the key properties of (3R)-N,2-bis[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
(3R)-N,2-bis[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide has a molecular weight of 483.57 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,2-bis[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 92740147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).