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

C26H25N3O3S — CID 92740153

IUPAC(3R)-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCOc1ccccc1CNC(=O)[C@@]1(C)Cn2c(cc3ccccc32)C(=O)N1Cc1cccs1
InChIInChI=1S/C26H25N3O3S/c1-26(25(31)27-15-19-9-4-6-12-23(19)32-2)17-28-21-11-5-3-8-18(21)14-22(28)24(30)29(26)16-20-10-7-13-33-20/h3-14H,15-17H2,1-2H3,(H,27,31)/t26-/m1/s1
InChIKeyCAAPBYFOBDBNBM-AREMUKBSSA-N
MW459.57 g/mol
LogP4.44
Rot. Bonds6

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

(3R)-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide (PubChem CID 92740153) has the molecular formula C26H25N3O3S and a molecular weight of 459.57 g/mol. Its IUPAC name is (3R)-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide
PubChem CID92740153
Molecular FormulaC26H25N3O3S
Molecular Weight459.57 g/mol
Exact Mass459.16
IUPAC Name(3R)-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCOc1ccccc1CNC(=O)[C@@]1(C)Cn2c(cc3ccccc32)C(=O)N1Cc1cccs1
InChIInChI=1S/C26H25N3O3S/c1-26(25(31)27-15-19-9-4-6-12-23(19)32-2)17-28-21-11-5-3-8-18(21)14-22(28)24(30)29(26)16-20-10-7-13-33-20/h3-14H,15-17H2,1-2H3,(H,27,31)/t26-/m1/s1
InChIKeyCAAPBYFOBDBNBM-AREMUKBSSA-N
XLogP4.44
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(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
(3S)-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-2-(pyridin-2-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92740190
3-methyl-N-(3-methylbutyl)-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46273178
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
(11S)-10-(furan-2-ylmethyl)-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 95067951
N-cyclooctyl-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 22523387
(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-methoxyphenyl)methyl]-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide?
The IUPAC name of (3R)-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide (CID 92740153) is (3R)-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide?
The canonical SMILES for (3R)-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide is COc1ccccc1CNC(=O)[C@@]1(C)Cn2c(cc3ccccc32)C(=O)N1Cc1cccs1.
What is the InChIKey of (3R)-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide?
The InChIKey is CAAPBYFOBDBNBM-AREMUKBSSA-N. The full InChI is InChI=1S/C26H25N3O3S/c1-26(25(31)27-15-19-9-4-6-12-23(19)32-2)17-28-21-11-5-3-8-18(21)14-22(28)24(30)29(26)16-20-10-7-13-33-20/h3-14H,15-17H2,1-2H3,(H,27,31)/t26-/m1/s1.
What are the key properties of (3R)-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide?
(3R)-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide has a molecular weight of 459.57 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 92740153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).