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

C16H14F2N6O — CID 159109434

IUPAC2-[2-(difluoromethoxy)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine
SMILESNc1nc2cc(-c3ccn[nH]3)ccc2c2nn(CCOC(F)F)cc12
InChIInChI=1S/C16H14F2N6O/c17-16(18)25-6-5-24-8-11-14(23-24)10-2-1-9(12-3-4-20-22-12)7-13(10)21-15(11)19/h1-4,7-8,16H,5-6H2,(H2,19,21)(H,20,22)
InChIKeyKEHLQYSPDUBCDP-UHFFFAOYSA-N
MW344.33 g/mol
LogP2.80
Rot. Bonds5

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

2-[2-(difluoromethoxy)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine (PubChem CID 159109434) has the molecular formula C16H14F2N6O and a molecular weight of 344.33 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine
PubChem CID159109434
Molecular FormulaC16H14F2N6O
Molecular Weight344.33 g/mol
Exact Mass344.12
IUPAC Name2-[2-(difluoromethoxy)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine
SMILESNc1nc2cc(-c3ccn[nH]3)ccc2c2nn(CCOC(F)F)cc12
InChIInChI=1S/C16H14F2N6O/c17-16(18)25-6-5-24-8-11-14(23-24)10-2-1-9(12-3-4-20-22-12)7-13(10)21-15(11)19/h1-4,7-8,16H,5-6H2,(H2,19,21)(H,20,22)
InChIKeyKEHLQYSPDUBCDP-UHFFFAOYSA-N
XLogP2.80
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine?
The IUPAC name of 2-[2-(difluoromethoxy)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine (CID 159109434) is 2-[2-(difluoromethoxy)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine.
What is the SMILES notation for 2-[2-(difluoromethoxy)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine?
The canonical SMILES for 2-[2-(difluoromethoxy)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine is Nc1nc2cc(-c3ccn[nH]3)ccc2c2nn(CCOC(F)F)cc12.
What is the InChIKey of 2-[2-(difluoromethoxy)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine?
The InChIKey is KEHLQYSPDUBCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N6O/c17-16(18)25-6-5-24-8-11-14(23-24)10-2-1-9(12-3-4-20-22-12)7-13(10)21-15(11)19/h1-4,7-8,16H,5-6H2,(H2,19,21)(H,20,22).
What are the key properties of 2-[2-(difluoromethoxy)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine?
2-[2-(difluoromethoxy)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine has a molecular weight of 344.33 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine is sourced from PubChem (CID 159109434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).