methyl 2-benzyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate

C15H13N3O2 — CID 141364909

IUPACmethyl 2-benzyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate
SMILESCOC(=O)c1c[nH]c2ncc(Cc3ccccc3)nc12
InChIInChI=1S/C15H13N3O2/c1-20-15(19)12-9-17-14-13(12)18-11(8-16-14)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H,16,17)
InChIKeyLNVDGRQGJPIPHZ-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.34
Rot. Bonds3

About methyl 2-benzyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate

methyl 2-benzyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate (PubChem CID 141364909) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is methyl 2-benzyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-benzyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate
PubChem CID141364909
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Namemethyl 2-benzyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate
SMILESCOC(=O)c1c[nH]c2ncc(Cc3ccccc3)nc12
InChIInChI=1S/C15H13N3O2/c1-20-15(19)12-9-17-14-13(12)18-11(8-16-14)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H,16,17)
InChIKeyLNVDGRQGJPIPHZ-UHFFFAOYSA-N
XLogP2.34
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-benzyl-1,2-oxazole-4-carboxylate
CID 14787243
6-benzyl-2-sulfanylidene-1H-pteridin-4-one
CID 163721374
methyl 3-benzyl-8-hydroxy-1,6-naphthyridine-7-carboxylate
CID 59696527
methyl 6-formyl-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxylate
CID 59600568
2-anilino-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 89453154
3-methyl-1-(2-phenyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)butan-1-one;2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 68636684
methyl 4-formyl-5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
CID 88535216
CID 88914842
CID 88914842
N,6-dibenzyl-4-oxo-1H-1,5-naphthyridine-3-carboxamide
CID 10109646
methyl 6-phenylmethoxy-1H-indole-3-carboxylate
CID 57455165
2-(3-methoxyindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 71280087
methyl 7-bromo-5H-pyrrolo[2,3-b]pyrazine-2-carboxylate
CID 138111834

Frequently Asked Questions

What is the IUPAC name of methyl 2-benzyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate?
The IUPAC name of methyl 2-benzyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate (CID 141364909) is methyl 2-benzyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate.
What is the SMILES notation for methyl 2-benzyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate?
The canonical SMILES for methyl 2-benzyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate is COC(=O)c1c[nH]c2ncc(Cc3ccccc3)nc12.
What is the InChIKey of methyl 2-benzyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate?
The InChIKey is LNVDGRQGJPIPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-20-15(19)12-9-17-14-13(12)18-11(8-16-14)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H,16,17).
What are the key properties of methyl 2-benzyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate?
methyl 2-benzyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate has a molecular weight of 267.29 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-benzyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate is sourced from PubChem (CID 141364909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).