methyl 2-methyl-3-(1-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazin-6-yl)indole-1-carboxylate

C24H21N3O2 — CID 11417718

IUPACmethyl 2-methyl-3-(1-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazin-6-yl)indole-1-carboxylate
SMILESCOC(=O)n1c(C)c(-c2ccc3n2CCN=C3c2ccccc2)c2ccccc21
InChIInChI=1S/C24H21N3O2/c1-16-22(18-10-6-7-11-19(18)27(16)24(28)29-2)20-12-13-21-23(25-14-15-26(20)21)17-8-4-3-5-9-17/h3-13H,14-15H2,1-2H3
InChIKeyVAMBONIUUUWKGB-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.88
Rot. Bonds2

About methyl 2-methyl-3-(1-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazin-6-yl)indole-1-carboxylate

methyl 2-methyl-3-(1-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazin-6-yl)indole-1-carboxylate (PubChem CID 11417718) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is methyl 2-methyl-3-(1-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazin-6-yl)indole-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-3-(1-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazin-6-yl)indole-1-carboxylate
PubChem CID11417718
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Namemethyl 2-methyl-3-(1-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazin-6-yl)indole-1-carboxylate
SMILESCOC(=O)n1c(C)c(-c2ccc3n2CCN=C3c2ccccc2)c2ccccc21
InChIInChI=1S/C24H21N3O2/c1-16-22(18-10-6-7-11-19(18)27(16)24(28)29-2)20-12-13-21-23(25-14-15-26(20)21)17-8-4-3-5-9-17/h3-13H,14-15H2,1-2H3
InChIKeyVAMBONIUUUWKGB-UHFFFAOYSA-N
XLogP4.88
TPSA48.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-(1-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazin-6-yl)indole-1-carboxylate?
The IUPAC name of methyl 2-methyl-3-(1-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazin-6-yl)indole-1-carboxylate (CID 11417718) is methyl 2-methyl-3-(1-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazin-6-yl)indole-1-carboxylate.
What is the SMILES notation for methyl 2-methyl-3-(1-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazin-6-yl)indole-1-carboxylate?
The canonical SMILES for methyl 2-methyl-3-(1-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazin-6-yl)indole-1-carboxylate is COC(=O)n1c(C)c(-c2ccc3n2CCN=C3c2ccccc2)c2ccccc21.
What is the InChIKey of methyl 2-methyl-3-(1-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazin-6-yl)indole-1-carboxylate?
The InChIKey is VAMBONIUUUWKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-16-22(18-10-6-7-11-19(18)27(16)24(28)29-2)20-12-13-21-23(25-14-15-26(20)21)17-8-4-3-5-9-17/h3-13H,14-15H2,1-2H3.
What are the key properties of methyl 2-methyl-3-(1-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazin-6-yl)indole-1-carboxylate?
methyl 2-methyl-3-(1-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazin-6-yl)indole-1-carboxylate has a molecular weight of 383.45 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-(1-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazin-6-yl)indole-1-carboxylate is sourced from PubChem (CID 11417718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).