1-(2-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-oxopyridazine-3-carboxamide

C22H19FN4O2 — CID 9268115

IUPAC1-(2-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCCc2c[nH]c3ccccc23)nn1-c1ccccc1F
InChIInChI=1S/C22H19FN4O2/c1-14-12-20(28)21(26-27(14)19-9-5-3-7-17(19)23)22(29)24-11-10-15-13-25-18-8-4-2-6-16(15)18/h2-9,12-13,25H,10-11H2,1H3,(H,24,29)
InChIKeyBJTWKHNZKBILCA-UHFFFAOYSA-N
MW390.42 g/mol
LogP3.13
Rot. Bonds5

About 1-(2-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-oxopyridazine-3-carboxamide

1-(2-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-oxopyridazine-3-carboxamide (PubChem CID 9268115) has the molecular formula C22H19FN4O2 and a molecular weight of 390.42 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-oxopyridazine-3-carboxamide
PubChem CID9268115
Molecular FormulaC22H19FN4O2
Molecular Weight390.42 g/mol
Exact Mass390.15
IUPAC Name1-(2-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCCc2c[nH]c3ccccc23)nn1-c1ccccc1F
InChIInChI=1S/C22H19FN4O2/c1-14-12-20(28)21(26-27(14)19-9-5-3-7-17(19)23)22(29)24-11-10-15-13-25-18-8-4-2-6-16(15)18/h2-9,12-13,25H,10-11H2,1H3,(H,24,29)
InChIKeyBJTWKHNZKBILCA-UHFFFAOYSA-N
XLogP3.13
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[(3-carbamoylphenyl)methyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-oxopyridazine-3-carboxamide (CID 9268115) is 1-(2-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-oxopyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)NCCc2c[nH]c3ccccc23)nn1-c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-oxopyridazine-3-carboxamide?
The InChIKey is BJTWKHNZKBILCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O2/c1-14-12-20(28)21(26-27(14)19-9-5-3-7-17(19)23)22(29)24-11-10-15-13-25-18-8-4-2-6-16(15)18/h2-9,12-13,25H,10-11H2,1H3,(H,24,29).
What are the key properties of 1-(2-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-oxopyridazine-3-carboxamide?
1-(2-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-oxopyridazine-3-carboxamide has a molecular weight of 390.42 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 9268115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).