6-(1-methylpyrazol-4-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)quinazolin-2-amine

C26H20N8O2 — CID 59325413

IUPAC6-(1-methylpyrazol-4-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)quinazolin-2-amine
SMILESCn1cc(-c2cc3cnc(Nc4cccc(-c5cnco5)c4)nc3cc2OCc2cnccn2)cn1
InChIInChI=1S/C26H20N8O2/c1-34-14-19(11-31-34)22-8-18-10-30-26(32-20-4-2-3-17(7-20)25-13-28-16-36-25)33-23(18)9-24(22)35-15-21-12-27-5-6-29-21/h2-14,16H,15H2,1H3,(H,30,32,33)
InChIKeyZYNXFPNLSTZQNJ-UHFFFAOYSA-N
MW476.50 g/mol
LogP4.80
Rot. Bonds7

About 6-(1-methylpyrazol-4-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)quinazolin-2-amine

6-(1-methylpyrazol-4-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)quinazolin-2-amine (PubChem CID 59325413) has the molecular formula C26H20N8O2 and a molecular weight of 476.50 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)quinazolin-2-amine.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)quinazolin-2-amine
PubChem CID59325413
Molecular FormulaC26H20N8O2
Molecular Weight476.50 g/mol
Exact Mass476.17
IUPAC Name6-(1-methylpyrazol-4-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)quinazolin-2-amine
SMILESCn1cc(-c2cc3cnc(Nc4cccc(-c5cnco5)c4)nc3cc2OCc2cnccn2)cn1
InChIInChI=1S/C26H20N8O2/c1-34-14-19(11-31-34)22-8-18-10-30-26(32-20-4-2-3-17(7-20)25-13-28-16-36-25)33-23(18)9-24(22)35-15-21-12-27-5-6-29-21/h2-14,16H,15H2,1H3,(H,30,32,33)
InChIKeyZYNXFPNLSTZQNJ-UHFFFAOYSA-N
XLogP4.80
TPSA116.67 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.50
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)quinazolin-2-amine?
The IUPAC name of 6-(1-methylpyrazol-4-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)quinazolin-2-amine (CID 59325413) is 6-(1-methylpyrazol-4-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)quinazolin-2-amine.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)quinazolin-2-amine?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)quinazolin-2-amine is Cn1cc(-c2cc3cnc(Nc4cccc(-c5cnco5)c4)nc3cc2OCc2cnccn2)cn1.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)quinazolin-2-amine?
The InChIKey is ZYNXFPNLSTZQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N8O2/c1-34-14-19(11-31-34)22-8-18-10-30-26(32-20-4-2-3-17(7-20)25-13-28-16-36-25)33-23(18)9-24(22)35-15-21-12-27-5-6-29-21/h2-14,16H,15H2,1H3,(H,30,32,33).
What are the key properties of 6-(1-methylpyrazol-4-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)quinazolin-2-amine?
6-(1-methylpyrazol-4-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)quinazolin-2-amine has a molecular weight of 476.50 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-4-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)quinazolin-2-amine is sourced from PubChem (CID 59325413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).