3-isocyanato-7-methylpyrazolo[1,5-a]pyridine

C9H7N3O — CID 83914617

IUPAC3-isocyanato-7-methylpyrazolo[1,5-a]pyridine
SMILESCc1cccc2c(N=C=O)cnn12
InChIInChI=1S/C9H7N3O/c1-7-3-2-4-9-8(10-6-13)5-11-12(7)9/h2-5H,1H3
InChIKeyLUQXBHZTCHUPNV-UHFFFAOYSA-N
MW173.17 g/mol
LogP1.61
Rot. Bonds1

About 3-isocyanato-7-methylpyrazolo[1,5-a]pyridine

3-isocyanato-7-methylpyrazolo[1,5-a]pyridine (PubChem CID 83914617) has the molecular formula C9H7N3O and a molecular weight of 173.17 g/mol. Its IUPAC name is 3-isocyanato-7-methylpyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-isocyanato-7-methylpyrazolo[1,5-a]pyridine
PubChem CID83914617
Molecular FormulaC9H7N3O
Molecular Weight173.17 g/mol
Exact Mass173.06
IUPAC Name3-isocyanato-7-methylpyrazolo[1,5-a]pyridine
SMILESCc1cccc2c(N=C=O)cnn12
InChIInChI=1S/C9H7N3O/c1-7-3-2-4-9-8(10-6-13)5-11-12(7)9/h2-5H,1H3
InChIKeyLUQXBHZTCHUPNV-UHFFFAOYSA-N
XLogP1.61
TPSA46.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

Analyze 3-isocyanato-7-methylpyrazolo[1,5-a]pyridine with MolForge

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

Launch Full Analysis

Related Compounds

3,7-dimethylpyrazolo[1,5-a]pyridine
CID 142528331
2-methyl-3-(7-methylpyrazolo[1,5-a]pyridin-3-yl)propanoic acid
CID 83836438
3-(7-methylpyrazolo[1,5-a]pyridin-3-yl)butanoic acid
CID 83836446
2-amino-3-(7-methylpyrazolo[1,5-a]pyridin-3-yl)propanoic acid
CID 83836941
2-(4-isocyanato-1-methylpyrazol-5-yl)phenol
CID 136934483
7-isocyanato-2-methyl-3H-pyrazolo[1,5-b][1,2,4]triazole
CID 146642886
1,4-diisocyanatonaphthalene
CID 11948529
(4-bromophenyl)-(7-methylpyrazolo[1,5-a]pyridin-3-yl)methanone;butane
CID 67715193
2-bromo-1,3-diisocyanatobenzene;ethane
CID 159499230
benzene;1,2-diisocyanatobenzene
CID 159551146
7-methyltriazolo[1,5-a]pyridine
CID 12752362
3-isocyanato-7-methyl-1H-indole
CID 83914578

Frequently Asked Questions

What is the IUPAC name of 3-isocyanato-7-methylpyrazolo[1,5-a]pyridine?
The IUPAC name of 3-isocyanato-7-methylpyrazolo[1,5-a]pyridine (CID 83914617) is 3-isocyanato-7-methylpyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-isocyanato-7-methylpyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-isocyanato-7-methylpyrazolo[1,5-a]pyridine is Cc1cccc2c(N=C=O)cnn12.
What is the InChIKey of 3-isocyanato-7-methylpyrazolo[1,5-a]pyridine?
The InChIKey is LUQXBHZTCHUPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O/c1-7-3-2-4-9-8(10-6-13)5-11-12(7)9/h2-5H,1H3.
What are the key properties of 3-isocyanato-7-methylpyrazolo[1,5-a]pyridine?
3-isocyanato-7-methylpyrazolo[1,5-a]pyridine has a molecular weight of 173.17 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isocyanato-7-methylpyrazolo[1,5-a]pyridine is sourced from PubChem (CID 83914617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).