3-[1-(2-methylpropyl)pyrazol-4-yl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine

C18H23N5O2 — CID 66829086

IUPAC3-[1-(2-methylpropyl)pyrazol-4-yl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
SMILESCC(C)Cn1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)cn1
InChIInChI=1S/C18H23N5O2/c1-12(2)10-23-11-13(9-20-23)17-16-15(21-22-17)3-6-19-18(16)25-14-4-7-24-8-5-14/h3,6,9,11-12,14H,4-5,7-8,10H2,1-2H3,(H,21,22)
InChIKeyKCFQAQXDEVLJKQ-UHFFFAOYSA-N
MW341.42 g/mol
LogP3.04
Rot. Bonds5

About 3-[1-(2-methylpropyl)pyrazol-4-yl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine

3-[1-(2-methylpropyl)pyrazol-4-yl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine (PubChem CID 66829086) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 3-[1-(2-methylpropyl)pyrazol-4-yl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-[1-(2-methylpropyl)pyrazol-4-yl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
PubChem CID66829086
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name3-[1-(2-methylpropyl)pyrazol-4-yl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
SMILESCC(C)Cn1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)cn1
InChIInChI=1S/C18H23N5O2/c1-12(2)10-23-11-13(9-20-23)17-16-15(21-22-17)3-6-19-18(16)25-14-4-7-24-8-5-14/h3,6,9,11-12,14H,4-5,7-8,10H2,1-2H3,(H,21,22)
InChIKeyKCFQAQXDEVLJKQ-UHFFFAOYSA-N
XLogP3.04
TPSA77.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methylpropyl)pyrazol-4-yl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-[1-(2-methylpropyl)pyrazol-4-yl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine (CID 66829086) is 3-[1-(2-methylpropyl)pyrazol-4-yl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-[1-(2-methylpropyl)pyrazol-4-yl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-[1-(2-methylpropyl)pyrazol-4-yl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine is CC(C)Cn1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)cn1.
What is the InChIKey of 3-[1-(2-methylpropyl)pyrazol-4-yl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is KCFQAQXDEVLJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-12(2)10-23-11-13(9-20-23)17-16-15(21-22-17)3-6-19-18(16)25-14-4-7-24-8-5-14/h3,6,9,11-12,14H,4-5,7-8,10H2,1-2H3,(H,21,22).
What are the key properties of 3-[1-(2-methylpropyl)pyrazol-4-yl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine?
3-[1-(2-methylpropyl)pyrazol-4-yl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 341.42 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methylpropyl)pyrazol-4-yl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 66829086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).