1-(5-nitro-6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole

C17H19N5O2 — CID 23481699

IUPAC1-(5-nitro-6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole
SMILESO=[N+]([O-])c1c(N2CCCCC2)ncnc1N1CCc2ccccc21
InChIInChI=1S/C17H19N5O2/c23-22(24)15-16(20-9-4-1-5-10-20)18-12-19-17(15)21-11-8-13-6-2-3-7-14(13)21/h2-3,6-7,12H,1,4-5,8-11H2
InChIKeyZWSHWYZIYLLWGK-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.07
Rot. Bonds3

About 1-(5-nitro-6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole

1-(5-nitro-6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole (PubChem CID 23481699) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-(5-nitro-6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-(5-nitro-6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole
PubChem CID23481699
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name1-(5-nitro-6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole
SMILESO=[N+]([O-])c1c(N2CCCCC2)ncnc1N1CCc2ccccc21
InChIInChI=1S/C17H19N5O2/c23-22(24)15-16(20-9-4-1-5-10-20)18-12-19-17(15)21-11-8-13-6-2-3-7-14(13)21/h2-3,6-7,12H,1,4-5,8-11H2
InChIKeyZWSHWYZIYLLWGK-UHFFFAOYSA-N
XLogP3.07
TPSA75.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitropyrimidin-4-yl]-3,4-dihydro-2H-quinoline
CID 22531404
1-[6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid
CID 22531515
6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitropyrimidin-4-amine
CID 2960132
1-[6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-yl]benzotriazole
CID 23481888
N-(2-chlorophenyl)-6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-amine
CID 23481771
1-[6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-yl]-2,3-dihydroindole
CID 23481791
4-(2,3-dihydroindol-1-yl)-5-nitro-1H-pyrimidin-6-one
CID 135719368
1-[6-(benzotriazol-1-yl)-5-nitropyrimidin-4-yl]-3,4-dihydro-2H-quinoline
CID 22531526
N-benzyl-6-(2,3-dihydroindol-1-yl)-5-nitro-N-pyridin-2-ylpyrimidin-4-amine
CID 23481848
1-[6-(4-chloro-3,5-dimethylphenoxy)-5-nitropyrimidin-4-yl]-2,3-dihydroindole
CID 23481841
N-(2,5-difluorophenyl)-6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-amine
CID 23481857
5-nitro-4,6-bis(4-phenylpiperazin-1-yl)pyrimidine
CID 23490429

Frequently Asked Questions

What is the IUPAC name of 1-(5-nitro-6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole?
The IUPAC name of 1-(5-nitro-6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole (CID 23481699) is 1-(5-nitro-6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole.
What is the SMILES notation for 1-(5-nitro-6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole?
The canonical SMILES for 1-(5-nitro-6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole is O=[N+]([O-])c1c(N2CCCCC2)ncnc1N1CCc2ccccc21.
What is the InChIKey of 1-(5-nitro-6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole?
The InChIKey is ZWSHWYZIYLLWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c23-22(24)15-16(20-9-4-1-5-10-20)18-12-19-17(15)21-11-8-13-6-2-3-7-14(13)21/h2-3,6-7,12H,1,4-5,8-11H2.
What are the key properties of 1-(5-nitro-6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole?
1-(5-nitro-6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole has a molecular weight of 325.37 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-nitro-6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole is sourced from PubChem (CID 23481699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).