5-[5-[3-(1-methylpyrazol-4-yl)indol-1-yl]-6-oxo-1H-pyridazin-3-yl]-1H-pyrimidine-2,4-dione

C20H15N7O3 — CID 136655262

IUPAC5-[5-[3-(1-methylpyrazol-4-yl)indol-1-yl]-6-oxo-1H-pyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCn1cc(-c2cn(-c3cc(-c4c[nH]c(=O)[nH]c4=O)n[nH]c3=O)c3ccccc23)cn1
InChIInChI=1S/C20H15N7O3/c1-26-9-11(7-22-26)14-10-27(16-5-3-2-4-12(14)16)17-6-15(24-25-19(17)29)13-8-21-20(30)23-18(13)28/h2-10H,1H3,(H,25,29)(H2,21,23,28,30)
InChIKeyFQWXSRDFFYXLSP-UHFFFAOYSA-N
MW401.39 g/mol
LogP1.16
Rot. Bonds3

About 5-[5-[3-(1-methylpyrazol-4-yl)indol-1-yl]-6-oxo-1H-pyridazin-3-yl]-1H-pyrimidine-2,4-dione

5-[5-[3-(1-methylpyrazol-4-yl)indol-1-yl]-6-oxo-1H-pyridazin-3-yl]-1H-pyrimidine-2,4-dione (PubChem CID 136655262) has the molecular formula C20H15N7O3 and a molecular weight of 401.39 g/mol. Its IUPAC name is 5-[5-[3-(1-methylpyrazol-4-yl)indol-1-yl]-6-oxo-1H-pyridazin-3-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[5-[3-(1-methylpyrazol-4-yl)indol-1-yl]-6-oxo-1H-pyridazin-3-yl]-1H-pyrimidine-2,4-dione
PubChem CID136655262
Molecular FormulaC20H15N7O3
Molecular Weight401.39 g/mol
Exact Mass401.12
IUPAC Name5-[5-[3-(1-methylpyrazol-4-yl)indol-1-yl]-6-oxo-1H-pyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCn1cc(-c2cn(-c3cc(-c4c[nH]c(=O)[nH]c4=O)n[nH]c3=O)c3ccccc23)cn1
InChIInChI=1S/C20H15N7O3/c1-26-9-11(7-22-26)14-10-27(16-5-3-2-4-12(14)16)17-6-15(24-25-19(17)29)13-8-21-20(30)23-18(13)28/h2-10H,1H3,(H,25,29)(H2,21,23,28,30)
InChIKeyFQWXSRDFFYXLSP-UHFFFAOYSA-N
XLogP1.16
TPSA134.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-(1-methylpyrazol-4-yl)-1H-indole
CID 118064780
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CID 135961807
9-chloro-4-(1-methylpyrazol-4-yl)-2H-benzo[h]isoquinolin-1-one
CID 15983766
1-methyl-4-naphthalen-1-ylpyrazole
CID 97034296
8-(1-methylpyrazol-4-yl)-2-phenyl-4H-pyrazolo[1,5-a]quinazolin-5-one
CID 168926384
1-methyl-3-(5-methyl-1H-pyrazol-3-yl)indole
CID 12006818
5-methyl-3H-pyridazino[4,5-b]indol-4-one
CID 3056946
2-(1-methylpyrazol-4-yl)-3,1-benzoxazin-4-one
CID 57362272
1-methyl-4-(4-phenylphenyl)pyrazole
CID 135064285
3-(1-methylpyrazol-4-yl)-7-(1H-pyrazol-4-yl)-5H-indeno[1,2-b]indol-10-one
CID 127049934
3-methoxy-4-(1-methylpyrazol-4-yl)-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]benzamide
CID 134286708
[2-(1-methylpyrazol-4-yl)phenyl]phosphane
CID 166648081

Frequently Asked Questions

What is the IUPAC name of 5-[5-[3-(1-methylpyrazol-4-yl)indol-1-yl]-6-oxo-1H-pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[5-[3-(1-methylpyrazol-4-yl)indol-1-yl]-6-oxo-1H-pyridazin-3-yl]-1H-pyrimidine-2,4-dione (CID 136655262) is 5-[5-[3-(1-methylpyrazol-4-yl)indol-1-yl]-6-oxo-1H-pyridazin-3-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[5-[3-(1-methylpyrazol-4-yl)indol-1-yl]-6-oxo-1H-pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[5-[3-(1-methylpyrazol-4-yl)indol-1-yl]-6-oxo-1H-pyridazin-3-yl]-1H-pyrimidine-2,4-dione is Cn1cc(-c2cn(-c3cc(-c4c[nH]c(=O)[nH]c4=O)n[nH]c3=O)c3ccccc23)cn1.
What is the InChIKey of 5-[5-[3-(1-methylpyrazol-4-yl)indol-1-yl]-6-oxo-1H-pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is FQWXSRDFFYXLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N7O3/c1-26-9-11(7-22-26)14-10-27(16-5-3-2-4-12(14)16)17-6-15(24-25-19(17)29)13-8-21-20(30)23-18(13)28/h2-10H,1H3,(H,25,29)(H2,21,23,28,30).
What are the key properties of 5-[5-[3-(1-methylpyrazol-4-yl)indol-1-yl]-6-oxo-1H-pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
5-[5-[3-(1-methylpyrazol-4-yl)indol-1-yl]-6-oxo-1H-pyridazin-3-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 401.39 g/mol, XLogP of 1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[3-(1-methylpyrazol-4-yl)indol-1-yl]-6-oxo-1H-pyridazin-3-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 136655262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).