1H-indol-3-yl-(6-methoxypyridazin-3-yl)methanone

C14H11N3O2 — CID 112742987

IUPAC1H-indol-3-yl-(6-methoxypyridazin-3-yl)methanone
SMILESCOc1ccc(C(=O)c2c[nH]c3ccccc23)nn1
InChIInChI=1S/C14H11N3O2/c1-19-13-7-6-12(16-17-13)14(18)10-8-15-11-5-3-2-4-9(10)11/h2-8,15H,1H3
InChIKeyCUYWECARKOIXNZ-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.20
Rot. Bonds3

About 1H-indol-3-yl-(6-methoxypyridazin-3-yl)methanone

1H-indol-3-yl-(6-methoxypyridazin-3-yl)methanone (PubChem CID 112742987) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 1H-indol-3-yl-(6-methoxypyridazin-3-yl)methanone.

Molecular Properties

Compound Name1H-indol-3-yl-(6-methoxypyridazin-3-yl)methanone
PubChem CID112742987
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name1H-indol-3-yl-(6-methoxypyridazin-3-yl)methanone
SMILESCOc1ccc(C(=O)c2c[nH]c3ccccc23)nn1
InChIInChI=1S/C14H11N3O2/c1-19-13-7-6-12(16-17-13)14(18)10-8-15-11-5-3-2-4-9(10)11/h2-8,15H,1H3
InChIKeyCUYWECARKOIXNZ-UHFFFAOYSA-N
XLogP2.20
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1H-indol-3-yl(pyridin-2-yl)methanone
CID 3820978
methyl 4-(1H-indole-3-carbonyl)benzoate
CID 139561809
ethane;methyl 1H-indole-3-carboxylate
CID 143850313
2-(1H-indol-3-yl)-N-(6-methoxy-3-pyridinyl)-2-oxoacetamide
CID 44596787
methyl 5-(1H-indole-3-carbonyl)pyridine-2-carboxylate
CID 139570456
(5-amino-2-pyridinyl)-(1H-indol-3-yl)methanone
CID 112742464
1H-indol-3-yl-(3-methoxythiophen-2-yl)methanone
CID 81127045
methyl 6-(1H-indole-3-carbonyl)pyrimidine-4-carboxylate
CID 148584588
1H-indol-3-yl-(3-methoxy-4-methylphenyl)methanone
CID 43339248
methyl 3-(1H-indole-3-carbonyl)pyridine-4-carboxylate
CID 11737569
propan-2-yl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate
CID 139560827
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 6-methoxypyridine-3-carboxylate
CID 40753077

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl-(6-methoxypyridazin-3-yl)methanone?
The IUPAC name of 1H-indol-3-yl-(6-methoxypyridazin-3-yl)methanone (CID 112742987) is 1H-indol-3-yl-(6-methoxypyridazin-3-yl)methanone.
What is the SMILES notation for 1H-indol-3-yl-(6-methoxypyridazin-3-yl)methanone?
The canonical SMILES for 1H-indol-3-yl-(6-methoxypyridazin-3-yl)methanone is COc1ccc(C(=O)c2c[nH]c3ccccc23)nn1.
What is the InChIKey of 1H-indol-3-yl-(6-methoxypyridazin-3-yl)methanone?
The InChIKey is CUYWECARKOIXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-19-13-7-6-12(16-17-13)14(18)10-8-15-11-5-3-2-4-9(10)11/h2-8,15H,1H3.
What are the key properties of 1H-indol-3-yl-(6-methoxypyridazin-3-yl)methanone?
1H-indol-3-yl-(6-methoxypyridazin-3-yl)methanone has a molecular weight of 253.26 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-yl-(6-methoxypyridazin-3-yl)methanone is sourced from PubChem (CID 112742987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).