2-(5-methoxy-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid

C16H13N5O3 — CID 71279955

IUPAC2-(5-methoxy-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESCOc1ccc2c(c1)c(-c1cnc3[nH]cc(C(=O)O)c3n1)nn2C
InChIInChI=1S/C16H13N5O3/c1-21-12-4-3-8(24-2)5-9(12)13(20-21)11-7-18-15-14(19-11)10(6-17-15)16(22)23/h3-7H,1-2H3,(H,17,18)(H,22,23)
InChIKeySDGJBRFTOMTVQP-UHFFFAOYSA-N
MW323.31 g/mol
LogP2.22
Rot. Bonds3

About 2-(5-methoxy-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid

2-(5-methoxy-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 71279955) has the molecular formula C16H13N5O3 and a molecular weight of 323.31 g/mol. Its IUPAC name is 2-(5-methoxy-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name2-(5-methoxy-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
PubChem CID71279955
Molecular FormulaC16H13N5O3
Molecular Weight323.31 g/mol
Exact Mass323.10
IUPAC Name2-(5-methoxy-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESCOc1ccc2c(c1)c(-c1cnc3[nH]cc(C(=O)O)c3n1)nn2C
InChIInChI=1S/C16H13N5O3/c1-21-12-4-3-8(24-2)5-9(12)13(20-21)11-7-18-15-14(19-11)10(6-17-15)16(22)23/h3-7H,1-2H3,(H,17,18)(H,22,23)
InChIKeySDGJBRFTOMTVQP-UHFFFAOYSA-N
XLogP2.22
TPSA105.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The IUPAC name of 2-(5-methoxy-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (CID 71279955) is 2-(5-methoxy-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid.
What is the SMILES notation for 2-(5-methoxy-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The canonical SMILES for 2-(5-methoxy-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid is COc1ccc2c(c1)c(-c1cnc3[nH]cc(C(=O)O)c3n1)nn2C.
What is the InChIKey of 2-(5-methoxy-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The InChIKey is SDGJBRFTOMTVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O3/c1-21-12-4-3-8(24-2)5-9(12)13(20-21)11-7-18-15-14(19-11)10(6-17-15)16(22)23/h3-7H,1-2H3,(H,17,18)(H,22,23).
What are the key properties of 2-(5-methoxy-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
2-(5-methoxy-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 323.31 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 71279955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).