(3-methoxypyrazin-2-yl)-(1-methylindazol-3-yl)methanone

C14H12N4O2 — CID 103125238

IUPAC(3-methoxypyrazin-2-yl)-(1-methylindazol-3-yl)methanone
SMILESCOc1nccnc1C(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C14H12N4O2/c1-18-10-6-4-3-5-9(10)11(17-18)13(19)12-14(20-2)16-8-7-15-12/h3-8H,1-2H3
InChIKeyGMSYUHYQMUIPBK-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.60
Rot. Bonds3

About (3-methoxypyrazin-2-yl)-(1-methylindazol-3-yl)methanone

(3-methoxypyrazin-2-yl)-(1-methylindazol-3-yl)methanone (PubChem CID 103125238) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is (3-methoxypyrazin-2-yl)-(1-methylindazol-3-yl)methanone.

Molecular Properties

Compound Name(3-methoxypyrazin-2-yl)-(1-methylindazol-3-yl)methanone
PubChem CID103125238
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name(3-methoxypyrazin-2-yl)-(1-methylindazol-3-yl)methanone
SMILESCOc1nccnc1C(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C14H12N4O2/c1-18-10-6-4-3-5-9(10)11(17-18)13(19)12-14(20-2)16-8-7-15-12/h3-8H,1-2H3
InChIKeyGMSYUHYQMUIPBK-UHFFFAOYSA-N
XLogP1.60
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-methoxypyrazin-2-yl)-(1-methylindazol-3-yl)methanone?
The IUPAC name of (3-methoxypyrazin-2-yl)-(1-methylindazol-3-yl)methanone (CID 103125238) is (3-methoxypyrazin-2-yl)-(1-methylindazol-3-yl)methanone.
What is the SMILES notation for (3-methoxypyrazin-2-yl)-(1-methylindazol-3-yl)methanone?
The canonical SMILES for (3-methoxypyrazin-2-yl)-(1-methylindazol-3-yl)methanone is COc1nccnc1C(=O)c1nn(C)c2ccccc12.
What is the InChIKey of (3-methoxypyrazin-2-yl)-(1-methylindazol-3-yl)methanone?
The InChIKey is GMSYUHYQMUIPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-18-10-6-4-3-5-9(10)11(17-18)13(19)12-14(20-2)16-8-7-15-12/h3-8H,1-2H3.
What are the key properties of (3-methoxypyrazin-2-yl)-(1-methylindazol-3-yl)methanone?
(3-methoxypyrazin-2-yl)-(1-methylindazol-3-yl)methanone has a molecular weight of 268.28 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxypyrazin-2-yl)-(1-methylindazol-3-yl)methanone is sourced from PubChem (CID 103125238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).