6-(2-methyl-4-pyridinyl)-5-nitro-1-[(3R)-oxolan-3-yl]indazole

C17H16N4O3 — CID 171554201

IUPAC6-(2-methyl-4-pyridinyl)-5-nitro-1-[(3R)-oxolan-3-yl]indazole
SMILESCc1cc(-c2cc3c(cnn3[C@@H]3CCOC3)cc2[N+](=O)[O-])ccn1
InChIInChI=1S/C17H16N4O3/c1-11-6-12(2-4-18-11)15-8-16-13(7-17(15)21(22)23)9-19-20(16)14-3-5-24-10-14/h2,4,6-9,14H,3,5,10H2,1H3/t14-/m1/s1
InChIKeyIGFTUEWGCRVTOR-CQSZACIVSA-N
MW324.34 g/mol
LogP3.28
Rot. Bonds3

About 6-(2-methyl-4-pyridinyl)-5-nitro-1-[(3R)-oxolan-3-yl]indazole

6-(2-methyl-4-pyridinyl)-5-nitro-1-[(3R)-oxolan-3-yl]indazole (PubChem CID 171554201) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 6-(2-methyl-4-pyridinyl)-5-nitro-1-[(3R)-oxolan-3-yl]indazole.

Molecular Properties

Compound Name6-(2-methyl-4-pyridinyl)-5-nitro-1-[(3R)-oxolan-3-yl]indazole
PubChem CID171554201
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name6-(2-methyl-4-pyridinyl)-5-nitro-1-[(3R)-oxolan-3-yl]indazole
SMILESCc1cc(-c2cc3c(cnn3[C@@H]3CCOC3)cc2[N+](=O)[O-])ccn1
InChIInChI=1S/C17H16N4O3/c1-11-6-12(2-4-18-11)15-8-16-13(7-17(15)21(22)23)9-19-20(16)14-3-5-24-10-14/h2,4,6-9,14H,3,5,10H2,1H3/t14-/m1/s1
InChIKeyIGFTUEWGCRVTOR-CQSZACIVSA-N
XLogP3.28
TPSA83.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.28
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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Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-4-pyridinyl)-5-nitro-1-[(3R)-oxolan-3-yl]indazole?
The IUPAC name of 6-(2-methyl-4-pyridinyl)-5-nitro-1-[(3R)-oxolan-3-yl]indazole (CID 171554201) is 6-(2-methyl-4-pyridinyl)-5-nitro-1-[(3R)-oxolan-3-yl]indazole.
What is the SMILES notation for 6-(2-methyl-4-pyridinyl)-5-nitro-1-[(3R)-oxolan-3-yl]indazole?
The canonical SMILES for 6-(2-methyl-4-pyridinyl)-5-nitro-1-[(3R)-oxolan-3-yl]indazole is Cc1cc(-c2cc3c(cnn3[C@@H]3CCOC3)cc2[N+](=O)[O-])ccn1.
What is the InChIKey of 6-(2-methyl-4-pyridinyl)-5-nitro-1-[(3R)-oxolan-3-yl]indazole?
The InChIKey is IGFTUEWGCRVTOR-CQSZACIVSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-11-6-12(2-4-18-11)15-8-16-13(7-17(15)21(22)23)9-19-20(16)14-3-5-24-10-14/h2,4,6-9,14H,3,5,10H2,1H3/t14-/m1/s1.
What are the key properties of 6-(2-methyl-4-pyridinyl)-5-nitro-1-[(3R)-oxolan-3-yl]indazole?
6-(2-methyl-4-pyridinyl)-5-nitro-1-[(3R)-oxolan-3-yl]indazole has a molecular weight of 324.34 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-4-pyridinyl)-5-nitro-1-[(3R)-oxolan-3-yl]indazole is sourced from PubChem (CID 171554201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).