2-(oxolan-3-yl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine

C17H16N6O — CID 161291199

IUPAC2-(oxolan-3-yl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine
SMILESNc1nc2cc(-c3ccn[nH]3)ccc2c2nn(C3CCOC3)cc12
InChIInChI=1S/C17H16N6O/c18-17-13-8-23(11-4-6-24-9-11)22-16(13)12-2-1-10(7-15(12)20-17)14-3-5-19-21-14/h1-3,5,7-8,11H,4,6,9H2,(H2,18,20)(H,19,21)
InChIKeyVGJDDGUQJSRBGW-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.52
Rot. Bonds2

About 2-(oxolan-3-yl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine

2-(oxolan-3-yl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine (PubChem CID 161291199) has the molecular formula C17H16N6O and a molecular weight of 320.36 g/mol. Its IUPAC name is 2-(oxolan-3-yl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine.

Molecular Properties

Compound Name2-(oxolan-3-yl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine
PubChem CID161291199
Molecular FormulaC17H16N6O
Molecular Weight320.36 g/mol
Exact Mass320.14
IUPAC Name2-(oxolan-3-yl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine
SMILESNc1nc2cc(-c3ccn[nH]3)ccc2c2nn(C3CCOC3)cc12
InChIInChI=1S/C17H16N6O/c18-17-13-8-23(11-4-6-24-9-11)22-16(13)12-2-1-10(7-15(12)20-17)14-3-5-19-21-14/h1-3,5,7-8,11H,4,6,9H2,(H2,18,20)(H,19,21)
InChIKeyVGJDDGUQJSRBGW-UHFFFAOYSA-N
XLogP2.52
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine?
The IUPAC name of 2-(oxolan-3-yl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine (CID 161291199) is 2-(oxolan-3-yl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine.
What is the SMILES notation for 2-(oxolan-3-yl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine?
The canonical SMILES for 2-(oxolan-3-yl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine is Nc1nc2cc(-c3ccn[nH]3)ccc2c2nn(C3CCOC3)cc12.
What is the InChIKey of 2-(oxolan-3-yl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine?
The InChIKey is VGJDDGUQJSRBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O/c18-17-13-8-23(11-4-6-24-9-11)22-16(13)12-2-1-10(7-15(12)20-17)14-3-5-19-21-14/h1-3,5,7-8,11H,4,6,9H2,(H2,18,20)(H,19,21).
What are the key properties of 2-(oxolan-3-yl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine?
2-(oxolan-3-yl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine has a molecular weight of 320.36 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine is sourced from PubChem (CID 161291199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).