(3S,4R)-3,4-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide

C18H18N4O3 — CID 53247319

IUPAC(3S,4R)-3,4-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
SMILESCc1cc(NC(=O)c2ccc3cc4n(c3c2)[C@H](C)[C@H](C)NC4=O)no1
InChIInChI=1S/C18H18N4O3/c1-9-6-16(21-25-9)20-17(23)13-5-4-12-7-15-18(24)19-10(2)11(3)22(15)14(12)8-13/h4-8,10-11H,1-3H3,(H,19,24)(H,20,21,23)/t10-,11+/m0/s1
InChIKeyAMQAOXDPHJIPPA-WDEREUQCSA-N
MW338.37 g/mol
LogP2.88
Rot. Bonds2

About (3S,4R)-3,4-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide

(3S,4R)-3,4-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide (PubChem CID 53247319) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is (3S,4R)-3,4-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide.

Molecular Properties

Compound Name(3S,4R)-3,4-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
PubChem CID53247319
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name(3S,4R)-3,4-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
SMILESCc1cc(NC(=O)c2ccc3cc4n(c3c2)[C@H](C)[C@H](C)NC4=O)no1
InChIInChI=1S/C18H18N4O3/c1-9-6-16(21-25-9)20-17(23)13-5-4-12-7-15-18(24)19-10(2)11(3)22(15)14(12)8-13/h4-8,10-11H,1-3H3,(H,19,24)(H,20,21,23)/t10-,11+/m0/s1
InChIKeyAMQAOXDPHJIPPA-WDEREUQCSA-N
XLogP2.88
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3,4-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
The IUPAC name of (3S,4R)-3,4-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide (CID 53247319) is (3S,4R)-3,4-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide.
What is the SMILES notation for (3S,4R)-3,4-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
The canonical SMILES for (3S,4R)-3,4-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide is Cc1cc(NC(=O)c2ccc3cc4n(c3c2)[C@H](C)[C@H](C)NC4=O)no1.
What is the InChIKey of (3S,4R)-3,4-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
The InChIKey is AMQAOXDPHJIPPA-WDEREUQCSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-9-6-16(21-25-9)20-17(23)13-5-4-12-7-15-18(24)19-10(2)11(3)22(15)14(12)8-13/h4-8,10-11H,1-3H3,(H,19,24)(H,20,21,23)/t10-,11+/m0/s1.
What are the key properties of (3S,4R)-3,4-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
(3S,4R)-3,4-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3,4-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide is sourced from PubChem (CID 53247319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).