7-methyl-1-[(5-methylpyrazin-2-yl)methyl]indole-6-carboxylic acid

C16H15N3O2 — CID 151474983

IUPAC7-methyl-1-[(5-methylpyrazin-2-yl)methyl]indole-6-carboxylic acid
SMILESCc1cnc(Cn2ccc3ccc(C(=O)O)c(C)c32)cn1
InChIInChI=1S/C16H15N3O2/c1-10-7-18-13(8-17-10)9-19-6-5-12-3-4-14(16(20)21)11(2)15(12)19/h3-8H,9H2,1-2H3,(H,20,21)
InChIKeyPLGKSWISRSUWON-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.79
Rot. Bonds3

About 7-methyl-1-[(5-methylpyrazin-2-yl)methyl]indole-6-carboxylic acid

7-methyl-1-[(5-methylpyrazin-2-yl)methyl]indole-6-carboxylic acid (PubChem CID 151474983) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 7-methyl-1-[(5-methylpyrazin-2-yl)methyl]indole-6-carboxylic acid.

Molecular Properties

Compound Name7-methyl-1-[(5-methylpyrazin-2-yl)methyl]indole-6-carboxylic acid
PubChem CID151474983
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name7-methyl-1-[(5-methylpyrazin-2-yl)methyl]indole-6-carboxylic acid
SMILESCc1cnc(Cn2ccc3ccc(C(=O)O)c(C)c32)cn1
InChIInChI=1S/C16H15N3O2/c1-10-7-18-13(8-17-10)9-19-6-5-12-3-4-14(16(20)21)11(2)15(12)19/h3-8H,9H2,1-2H3,(H,20,21)
InChIKeyPLGKSWISRSUWON-UHFFFAOYSA-N
XLogP2.79
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-[(5-methylpyrazin-2-yl)methyl]indole-6-carboxylic acid?
The IUPAC name of 7-methyl-1-[(5-methylpyrazin-2-yl)methyl]indole-6-carboxylic acid (CID 151474983) is 7-methyl-1-[(5-methylpyrazin-2-yl)methyl]indole-6-carboxylic acid.
What is the SMILES notation for 7-methyl-1-[(5-methylpyrazin-2-yl)methyl]indole-6-carboxylic acid?
The canonical SMILES for 7-methyl-1-[(5-methylpyrazin-2-yl)methyl]indole-6-carboxylic acid is Cc1cnc(Cn2ccc3ccc(C(=O)O)c(C)c32)cn1.
What is the InChIKey of 7-methyl-1-[(5-methylpyrazin-2-yl)methyl]indole-6-carboxylic acid?
The InChIKey is PLGKSWISRSUWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-10-7-18-13(8-17-10)9-19-6-5-12-3-4-14(16(20)21)11(2)15(12)19/h3-8H,9H2,1-2H3,(H,20,21).
What are the key properties of 7-methyl-1-[(5-methylpyrazin-2-yl)methyl]indole-6-carboxylic acid?
7-methyl-1-[(5-methylpyrazin-2-yl)methyl]indole-6-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-[(5-methylpyrazin-2-yl)methyl]indole-6-carboxylic acid is sourced from PubChem (CID 151474983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).