4-(1H-indol-3-yl)-5-methoxy-2-methyl-6-propan-2-ylpyridazin-3-one

C17H19N3O2 — CID 136646208

IUPAC4-(1H-indol-3-yl)-5-methoxy-2-methyl-6-propan-2-ylpyridazin-3-one
SMILESCOc1c(C(C)C)nn(C)c(=O)c1-c1c[nH]c2ccccc12
InChIInChI=1S/C17H19N3O2/c1-10(2)15-16(22-4)14(17(21)20(3)19-15)12-9-18-13-8-6-5-7-11(12)13/h5-10,18H,1-4H3
InChIKeyAFAMQPOTGKNXME-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.06
Rot. Bonds3

About 4-(1H-indol-3-yl)-5-methoxy-2-methyl-6-propan-2-ylpyridazin-3-one

4-(1H-indol-3-yl)-5-methoxy-2-methyl-6-propan-2-ylpyridazin-3-one (PubChem CID 136646208) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-5-methoxy-2-methyl-6-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-5-methoxy-2-methyl-6-propan-2-ylpyridazin-3-one
PubChem CID136646208
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name4-(1H-indol-3-yl)-5-methoxy-2-methyl-6-propan-2-ylpyridazin-3-one
SMILESCOc1c(C(C)C)nn(C)c(=O)c1-c1c[nH]c2ccccc12
InChIInChI=1S/C17H19N3O2/c1-10(2)15-16(22-4)14(17(21)20(3)19-15)12-9-18-13-8-6-5-7-11(12)13/h5-10,18H,1-4H3
InChIKeyAFAMQPOTGKNXME-UHFFFAOYSA-N
XLogP3.06
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-diol
CID 91429863
3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-dione
CID 2400
3-propan-2-yl-1H-indole
CID 12534824
methyl (2S)-2-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]propanoate
CID 46218510
3-[2-[5-(2-methoxyphenyl)-3-propan-2-ylpyrazol-1-yl]ethyl]-1H-indole
CID 155211510
4-hydroxy-2-(1H-indol-3-yl)-3-methoxybenzonitrile
CID 15425105
6-methyl-8-propan-2-ylpyrido[2,3-d]pyridazin-5-one
CID 145029121
2-(1H-indol-3-yl)-5,8-dimethoxynaphthalene-1,4-dione
CID 11674379
4,5-bis(1H-indol-3-yl)-1,2-dihydropyrazol-3-one
CID 127051436
5-(1H-indol-3-yl)-N,1-dimethylpyrazol-3-amine
CID 136995821
4-amino-5-(1H-indol-3-yl)-1H-pyrimidin-6-one
CID 135780355
3-(4-methyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl)-1H-indole
CID 5048396

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-5-methoxy-2-methyl-6-propan-2-ylpyridazin-3-one?
The IUPAC name of 4-(1H-indol-3-yl)-5-methoxy-2-methyl-6-propan-2-ylpyridazin-3-one (CID 136646208) is 4-(1H-indol-3-yl)-5-methoxy-2-methyl-6-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 4-(1H-indol-3-yl)-5-methoxy-2-methyl-6-propan-2-ylpyridazin-3-one?
The canonical SMILES for 4-(1H-indol-3-yl)-5-methoxy-2-methyl-6-propan-2-ylpyridazin-3-one is COc1c(C(C)C)nn(C)c(=O)c1-c1c[nH]c2ccccc12.
What is the InChIKey of 4-(1H-indol-3-yl)-5-methoxy-2-methyl-6-propan-2-ylpyridazin-3-one?
The InChIKey is AFAMQPOTGKNXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-10(2)15-16(22-4)14(17(21)20(3)19-15)12-9-18-13-8-6-5-7-11(12)13/h5-10,18H,1-4H3.
What are the key properties of 4-(1H-indol-3-yl)-5-methoxy-2-methyl-6-propan-2-ylpyridazin-3-one?
4-(1H-indol-3-yl)-5-methoxy-2-methyl-6-propan-2-ylpyridazin-3-one has a molecular weight of 297.36 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-5-methoxy-2-methyl-6-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 136646208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).