7-[2-(oxan-2-yl)pyrazol-3-yl]-4-(1H-pyrazol-4-yl)quinolin-2-amine

C20H20N6O — CID 137409022

IUPAC7-[2-(oxan-2-yl)pyrazol-3-yl]-4-(1H-pyrazol-4-yl)quinolin-2-amine
SMILESNc1cc(-c2cn[nH]c2)c2ccc(-c3ccnn3C3CCCCO3)cc2n1
InChIInChI=1S/C20H20N6O/c21-19-10-16(14-11-22-23-12-14)15-5-4-13(9-17(15)25-19)18-6-7-24-26(18)20-3-1-2-8-27-20/h4-7,9-12,20H,1-3,8H2,(H2,21,25)(H,22,23)
InChIKeyHQJAPLZTRMCFKT-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.77
Rot. Bonds3

About 7-[2-(oxan-2-yl)pyrazol-3-yl]-4-(1H-pyrazol-4-yl)quinolin-2-amine

7-[2-(oxan-2-yl)pyrazol-3-yl]-4-(1H-pyrazol-4-yl)quinolin-2-amine (PubChem CID 137409022) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 7-[2-(oxan-2-yl)pyrazol-3-yl]-4-(1H-pyrazol-4-yl)quinolin-2-amine.

Molecular Properties

Compound Name7-[2-(oxan-2-yl)pyrazol-3-yl]-4-(1H-pyrazol-4-yl)quinolin-2-amine
PubChem CID137409022
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name7-[2-(oxan-2-yl)pyrazol-3-yl]-4-(1H-pyrazol-4-yl)quinolin-2-amine
SMILESNc1cc(-c2cn[nH]c2)c2ccc(-c3ccnn3C3CCCCO3)cc2n1
InChIInChI=1S/C20H20N6O/c21-19-10-16(14-11-22-23-12-14)15-5-4-13(9-17(15)25-19)18-6-7-24-26(18)20-3-1-2-8-27-20/h4-7,9-12,20H,1-3,8H2,(H2,21,25)(H,22,23)
InChIKeyHQJAPLZTRMCFKT-UHFFFAOYSA-N
XLogP3.77
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(oxan-2-yl)pyrazol-3-yl]-4-(1H-pyrazol-4-yl)quinolin-2-amine?
The IUPAC name of 7-[2-(oxan-2-yl)pyrazol-3-yl]-4-(1H-pyrazol-4-yl)quinolin-2-amine (CID 137409022) is 7-[2-(oxan-2-yl)pyrazol-3-yl]-4-(1H-pyrazol-4-yl)quinolin-2-amine.
What is the SMILES notation for 7-[2-(oxan-2-yl)pyrazol-3-yl]-4-(1H-pyrazol-4-yl)quinolin-2-amine?
The canonical SMILES for 7-[2-(oxan-2-yl)pyrazol-3-yl]-4-(1H-pyrazol-4-yl)quinolin-2-amine is Nc1cc(-c2cn[nH]c2)c2ccc(-c3ccnn3C3CCCCO3)cc2n1.
What is the InChIKey of 7-[2-(oxan-2-yl)pyrazol-3-yl]-4-(1H-pyrazol-4-yl)quinolin-2-amine?
The InChIKey is HQJAPLZTRMCFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c21-19-10-16(14-11-22-23-12-14)15-5-4-13(9-17(15)25-19)18-6-7-24-26(18)20-3-1-2-8-27-20/h4-7,9-12,20H,1-3,8H2,(H2,21,25)(H,22,23).
What are the key properties of 7-[2-(oxan-2-yl)pyrazol-3-yl]-4-(1H-pyrazol-4-yl)quinolin-2-amine?
7-[2-(oxan-2-yl)pyrazol-3-yl]-4-(1H-pyrazol-4-yl)quinolin-2-amine has a molecular weight of 360.42 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(oxan-2-yl)pyrazol-3-yl]-4-(1H-pyrazol-4-yl)quinolin-2-amine is sourced from PubChem (CID 137409022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).