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

C24H25N3O3 — CID 92740194

IUPAC(3S)-2-cyclopropyl-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCOc1ccccc1CNC(=O)[C@]1(C)Cn2c(cc3ccccc32)C(=O)N1C1CC1
InChIInChI=1S/C24H25N3O3/c1-24(23(29)25-14-17-8-4-6-10-21(17)30-2)15-26-19-9-5-3-7-16(19)13-20(26)22(28)27(24)18-11-12-18/h3-10,13,18H,11-12,14-15H2,1-2H3,(H,25,29)/t24-/m0/s1
InChIKeyVVKUOMWWSBSKDU-DEOSSOPVSA-N
MW403.48 g/mol
LogP3.34
Rot. Bonds5

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

(3S)-2-cyclopropyl-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (PubChem CID 92740194) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is (3S)-2-cyclopropyl-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

Compound Name(3S)-2-cyclopropyl-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
PubChem CID92740194
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name(3S)-2-cyclopropyl-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCOc1ccccc1CNC(=O)[C@]1(C)Cn2c(cc3ccccc32)C(=O)N1C1CC1
InChIInChI=1S/C24H25N3O3/c1-24(23(29)25-14-17-8-4-6-10-21(17)30-2)15-26-19-9-5-3-7-16(19)13-20(26)22(28)27(24)18-11-12-18/h3-10,13,18H,11-12,14-15H2,1-2H3,(H,25,29)/t24-/m0/s1
InChIKeyVVKUOMWWSBSKDU-DEOSSOPVSA-N
XLogP3.34
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
2-ethyl-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46340953
(3R)-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-2-(3-phenylpropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92740135
(3R)-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92740153
N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-2-(3-phenylpropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46273213
(3S)-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-2-(pyridin-2-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92740190
(6S)-5-cyclopropyl-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739275
(3R)-N-cyclopentyl-2-cyclopropyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92903630
N-benzyl-2-(1-benzylpiperidin-4-yl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46273142
(3S)-N-benzyl-2-[(5-bromo-2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 98225429

Frequently Asked Questions

What is the IUPAC name of (3S)-2-cyclopropyl-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The IUPAC name of (3S)-2-cyclopropyl-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (CID 92740194) is (3S)-2-cyclopropyl-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.
What is the SMILES notation for (3S)-2-cyclopropyl-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The canonical SMILES for (3S)-2-cyclopropyl-N-[(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)N1C1CC1.
What is the InChIKey of (3S)-2-cyclopropyl-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The InChIKey is VVKUOMWWSBSKDU-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-24(23(29)25-14-17-8-4-6-10-21(17)30-2)15-26-19-9-5-3-7-16(19)13-20(26)22(28)27(24)18-11-12-18/h3-10,13,18H,11-12,14-15H2,1-2H3,(H,25,29)/t24-/m0/s1.
What are the key properties of (3S)-2-cyclopropyl-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
(3S)-2-cyclopropyl-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-cyclopropyl-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 92740194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).