5-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]-2,3-dihydro-1H-indazole-3-carbaldehyde

C17H17N5O2 — CID 174664200

IUPAC5-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]-2,3-dihydro-1H-indazole-3-carbaldehyde
SMILESCc1ccncc1N1CCN(c2ccc3c(c2)C(C=O)NN3)C1=O
InChIInChI=1S/C17H17N5O2/c1-11-4-5-18-9-16(11)22-7-6-21(17(22)24)12-2-3-14-13(8-12)15(10-23)20-19-14/h2-5,8-10,15,19-20H,6-7H2,1H3
InChIKeyQVAOFRVKKYLNHY-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.01
Rot. Bonds3

About 5-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]-2,3-dihydro-1H-indazole-3-carbaldehyde

5-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]-2,3-dihydro-1H-indazole-3-carbaldehyde (PubChem CID 174664200) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 5-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]-2,3-dihydro-1H-indazole-3-carbaldehyde.

Molecular Properties

Compound Name5-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]-2,3-dihydro-1H-indazole-3-carbaldehyde
PubChem CID174664200
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name5-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]-2,3-dihydro-1H-indazole-3-carbaldehyde
SMILESCc1ccncc1N1CCN(c2ccc3c(c2)C(C=O)NN3)C1=O
InChIInChI=1S/C17H17N5O2/c1-11-4-5-18-9-16(11)22-7-6-21(17(22)24)12-2-3-14-13(8-12)15(10-23)20-19-14/h2-5,8-10,15,19-20H,6-7H2,1H3
InChIKeyQVAOFRVKKYLNHY-UHFFFAOYSA-N
XLogP2.01
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 5-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]-2,3-dihydro-1H-indazole-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]-2,3-dihydro-1H-indazole-3-carbaldehyde?
The IUPAC name of 5-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]-2,3-dihydro-1H-indazole-3-carbaldehyde (CID 174664200) is 5-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]-2,3-dihydro-1H-indazole-3-carbaldehyde.
What is the SMILES notation for 5-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]-2,3-dihydro-1H-indazole-3-carbaldehyde?
The canonical SMILES for 5-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]-2,3-dihydro-1H-indazole-3-carbaldehyde is Cc1ccncc1N1CCN(c2ccc3c(c2)C(C=O)NN3)C1=O.
What is the InChIKey of 5-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]-2,3-dihydro-1H-indazole-3-carbaldehyde?
The InChIKey is QVAOFRVKKYLNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-11-4-5-18-9-16(11)22-7-6-21(17(22)24)12-2-3-14-13(8-12)15(10-23)20-19-14/h2-5,8-10,15,19-20H,6-7H2,1H3.
What are the key properties of 5-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]-2,3-dihydro-1H-indazole-3-carbaldehyde?
5-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]-2,3-dihydro-1H-indazole-3-carbaldehyde has a molecular weight of 323.36 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]-2,3-dihydro-1H-indazole-3-carbaldehyde is sourced from PubChem (CID 174664200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).