N-[1-(2-fluoroethyl)pyrazol-4-yl]-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine

C16H15FN6O — CID 90103710

IUPACN-[1-(2-fluoroethyl)pyrazol-4-yl]-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine
SMILESCOc1ccc2nc(Nc3cnn(CCF)c3)c3[nH]ncc3c2c1
InChIInChI=1S/C16H15FN6O/c1-24-11-2-3-14-12(6-11)13-8-18-22-15(13)16(21-14)20-10-7-19-23(9-10)5-4-17/h2-3,6-9H,4-5H2,1H3,(H,18,22)(H,20,21)
InChIKeyIQRCMVSVRQAKNM-UHFFFAOYSA-N
MW326.34 g/mol
LogP3.03
Rot. Bonds5

About N-[1-(2-fluoroethyl)pyrazol-4-yl]-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine

N-[1-(2-fluoroethyl)pyrazol-4-yl]-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine (PubChem CID 90103710) has the molecular formula C16H15FN6O and a molecular weight of 326.34 g/mol. Its IUPAC name is N-[1-(2-fluoroethyl)pyrazol-4-yl]-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine.

Molecular Properties

Compound NameN-[1-(2-fluoroethyl)pyrazol-4-yl]-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine
PubChem CID90103710
Molecular FormulaC16H15FN6O
Molecular Weight326.34 g/mol
Exact Mass326.13
IUPAC NameN-[1-(2-fluoroethyl)pyrazol-4-yl]-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine
SMILESCOc1ccc2nc(Nc3cnn(CCF)c3)c3[nH]ncc3c2c1
InChIInChI=1S/C16H15FN6O/c1-24-11-2-3-14-12(6-11)13-8-18-22-15(13)16(21-14)20-10-7-19-23(9-10)5-4-17/h2-3,6-9H,4-5H2,1H3,(H,18,22)(H,20,21)
InChIKeyIQRCMVSVRQAKNM-UHFFFAOYSA-N
XLogP3.03
TPSA80.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoroethyl)pyrazol-4-yl]-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine?
The IUPAC name of N-[1-(2-fluoroethyl)pyrazol-4-yl]-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine (CID 90103710) is N-[1-(2-fluoroethyl)pyrazol-4-yl]-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine.
What is the SMILES notation for N-[1-(2-fluoroethyl)pyrazol-4-yl]-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine?
The canonical SMILES for N-[1-(2-fluoroethyl)pyrazol-4-yl]-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine is COc1ccc2nc(Nc3cnn(CCF)c3)c3[nH]ncc3c2c1.
What is the InChIKey of N-[1-(2-fluoroethyl)pyrazol-4-yl]-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine?
The InChIKey is IQRCMVSVRQAKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN6O/c1-24-11-2-3-14-12(6-11)13-8-18-22-15(13)16(21-14)20-10-7-19-23(9-10)5-4-17/h2-3,6-9H,4-5H2,1H3,(H,18,22)(H,20,21).
What are the key properties of N-[1-(2-fluoroethyl)pyrazol-4-yl]-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine?
N-[1-(2-fluoroethyl)pyrazol-4-yl]-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine has a molecular weight of 326.34 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoroethyl)pyrazol-4-yl]-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine is sourced from PubChem (CID 90103710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).