1-(1H-indazol-3-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione

C17H15N3O2 — CID 90371058

IUPAC1-(1H-indazol-3-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione
SMILESCc1cccnc1C(=O)CCC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C17H15N3O2/c1-11-5-4-10-18-16(11)14(21)8-9-15(22)17-12-6-2-3-7-13(12)19-20-17/h2-7,10H,8-9H2,1H3,(H,19,20)
InChIKeyGPXZUOBKIYRXPC-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.11
Rot. Bonds5

About 1-(1H-indazol-3-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione

1-(1H-indazol-3-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione (PubChem CID 90371058) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-(1H-indazol-3-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione.

Molecular Properties

Compound Name1-(1H-indazol-3-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione
PubChem CID90371058
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name1-(1H-indazol-3-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione
SMILESCc1cccnc1C(=O)CCC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C17H15N3O2/c1-11-5-4-10-18-16(11)14(21)8-9-15(22)17-12-6-2-3-7-13(12)19-20-17/h2-7,10H,8-9H2,1H3,(H,19,20)
InChIKeyGPXZUOBKIYRXPC-UHFFFAOYSA-N
XLogP3.11
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1H-indazol-3-yl)-4-(2-methoxyphenyl)butane-1,4-dione
CID 90355469
1-(3-methyl-2-pyridinyl)-3-methylsulfonylpropan-1-one
CID 62619914
1-(1H-indazol-3-yl)ethanone
CID 15684169
ethyl 2-(1H-indazol-3-yl)-2-oxoacetate
CID 70319285
2-[4-(1H-indazol-3-yl)-4-oxobutyl]isoindole-1,3-dione
CID 13199438
N-methyl-N-pyridin-2-yl-1H-indazole-3-carboxamide
CID 64983096
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1H-indazole-3-carboxamide
CID 42594608
2-(methylamino)-1-(1H-pyrazolo[4,3-b]pyridin-3-yl)ethanone
CID 84662554
3-methylpyridine-2-carboxylic acid;oxygen(2-);vanadium(4+)
CID 10058713
N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide
CID 154796255
(2-methylpyrimidin-5-yl) 1H-indazole-3-carboxylate
CID 162459710
N-(2-methylpropyl)-1H-indazole-3-carboxamide
CID 42477800

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-3-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione?
The IUPAC name of 1-(1H-indazol-3-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione (CID 90371058) is 1-(1H-indazol-3-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione.
What is the SMILES notation for 1-(1H-indazol-3-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione?
The canonical SMILES for 1-(1H-indazol-3-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione is Cc1cccnc1C(=O)CCC(=O)c1n[nH]c2ccccc12.
What is the InChIKey of 1-(1H-indazol-3-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione?
The InChIKey is GPXZUOBKIYRXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-11-5-4-10-18-16(11)14(21)8-9-15(22)17-12-6-2-3-7-13(12)19-20-17/h2-7,10H,8-9H2,1H3,(H,19,20).
What are the key properties of 1-(1H-indazol-3-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione?
1-(1H-indazol-3-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione has a molecular weight of 293.33 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-3-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione is sourced from PubChem (CID 90371058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).