3-methyl-4-(oxan-4-yloxy)-2H-pyrazolo[4,3-c]pyridine

C12H15N3O2 — CID 59618824

IUPAC3-methyl-4-(oxan-4-yloxy)-2H-pyrazolo[4,3-c]pyridine
SMILESCc1[nH]nc2ccnc(OC3CCOCC3)c12
InChIInChI=1S/C12H15N3O2/c1-8-11-10(15-14-8)2-5-13-12(11)17-9-3-6-16-7-4-9/h2,5,9H,3-4,6-7H2,1H3,(H,14,15)
InChIKeyUDVBLDPEYISFRN-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.82
Rot. Bonds2

About 3-methyl-4-(oxan-4-yloxy)-2H-pyrazolo[4,3-c]pyridine

3-methyl-4-(oxan-4-yloxy)-2H-pyrazolo[4,3-c]pyridine (PubChem CID 59618824) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-methyl-4-(oxan-4-yloxy)-2H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-methyl-4-(oxan-4-yloxy)-2H-pyrazolo[4,3-c]pyridine
PubChem CID59618824
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-methyl-4-(oxan-4-yloxy)-2H-pyrazolo[4,3-c]pyridine
SMILESCc1[nH]nc2ccnc(OC3CCOCC3)c12
InChIInChI=1S/C12H15N3O2/c1-8-11-10(15-14-8)2-5-13-12(11)17-9-3-6-16-7-4-9/h2,5,9H,3-4,6-7H2,1H3,(H,14,15)
InChIKeyUDVBLDPEYISFRN-UHFFFAOYSA-N
XLogP1.82
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(oxan-4-yloxy)-2H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-methyl-4-(oxan-4-yloxy)-2H-pyrazolo[4,3-c]pyridine (CID 59618824) is 3-methyl-4-(oxan-4-yloxy)-2H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-methyl-4-(oxan-4-yloxy)-2H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-methyl-4-(oxan-4-yloxy)-2H-pyrazolo[4,3-c]pyridine is Cc1[nH]nc2ccnc(OC3CCOCC3)c12.
What is the InChIKey of 3-methyl-4-(oxan-4-yloxy)-2H-pyrazolo[4,3-c]pyridine?
The InChIKey is UDVBLDPEYISFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8-11-10(15-14-8)2-5-13-12(11)17-9-3-6-16-7-4-9/h2,5,9H,3-4,6-7H2,1H3,(H,14,15).
What are the key properties of 3-methyl-4-(oxan-4-yloxy)-2H-pyrazolo[4,3-c]pyridine?
3-methyl-4-(oxan-4-yloxy)-2H-pyrazolo[4,3-c]pyridine has a molecular weight of 233.27 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(oxan-4-yloxy)-2H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 59618824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).