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

C27H21N7O2 — CID 59325522

IUPAC6-(1-methylpyrazol-4-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyridin-3-ylmethoxy)quinazolin-2-amine
SMILESCn1cc(-c2cc3cnc(Nc4cccc(-c5cnco5)c4)nc3cc2OCc2cccnc2)cn1
InChIInChI=1S/C27H21N7O2/c1-34-15-21(13-31-34)23-9-20-12-30-27(32-22-6-2-5-19(8-22)26-14-29-17-36-26)33-24(20)10-25(23)35-16-18-4-3-7-28-11-18/h2-15,17H,16H2,1H3,(H,30,32,33)
InChIKeyKMDMGCUEJIFRFF-UHFFFAOYSA-N
MW475.51 g/mol
LogP5.40
Rot. Bonds7

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

6-(1-methylpyrazol-4-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyridin-3-ylmethoxy)quinazolin-2-amine (PubChem CID 59325522) has the molecular formula C27H21N7O2 and a molecular weight of 475.51 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyridin-3-ylmethoxy)quinazolin-2-amine.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyridin-3-ylmethoxy)quinazolin-2-amine
PubChem CID59325522
Molecular FormulaC27H21N7O2
Molecular Weight475.51 g/mol
Exact Mass475.18
IUPAC Name6-(1-methylpyrazol-4-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyridin-3-ylmethoxy)quinazolin-2-amine
SMILESCn1cc(-c2cc3cnc(Nc4cccc(-c5cnco5)c4)nc3cc2OCc2cccnc2)cn1
InChIInChI=1S/C27H21N7O2/c1-34-15-21(13-31-34)23-9-20-12-30-27(32-22-6-2-5-19(8-22)26-14-29-17-36-26)33-24(20)10-25(23)35-16-18-4-3-7-28-11-18/h2-15,17H,16H2,1H3,(H,30,32,33)
InChIKeyKMDMGCUEJIFRFF-UHFFFAOYSA-N
XLogP5.40
TPSA103.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.51
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyridin-3-ylmethoxy)quinazolin-2-amine?
The IUPAC name of 6-(1-methylpyrazol-4-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyridin-3-ylmethoxy)quinazolin-2-amine (CID 59325522) is 6-(1-methylpyrazol-4-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyridin-3-ylmethoxy)quinazolin-2-amine.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyridin-3-ylmethoxy)quinazolin-2-amine?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyridin-3-ylmethoxy)quinazolin-2-amine is Cn1cc(-c2cc3cnc(Nc4cccc(-c5cnco5)c4)nc3cc2OCc2cccnc2)cn1.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyridin-3-ylmethoxy)quinazolin-2-amine?
The InChIKey is KMDMGCUEJIFRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N7O2/c1-34-15-21(13-31-34)23-9-20-12-30-27(32-22-6-2-5-19(8-22)26-14-29-17-36-26)33-24(20)10-25(23)35-16-18-4-3-7-28-11-18/h2-15,17H,16H2,1H3,(H,30,32,33).
What are the key properties of 6-(1-methylpyrazol-4-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyridin-3-ylmethoxy)quinazolin-2-amine?
6-(1-methylpyrazol-4-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyridin-3-ylmethoxy)quinazolin-2-amine has a molecular weight of 475.51 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 9 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-(pyridin-3-ylmethoxy)quinazolin-2-amine is sourced from PubChem (CID 59325522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).