6-methoxy-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-2-pyridin-3-ylquinazolin-4-amine

C24H20N6O2 — CID 71180169

IUPAC6-methoxy-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-2-pyridin-3-ylquinazolin-4-amine
SMILESCOc1cccc(-c2cc(Nc3nc(-c4cccnc4)nc4ccc(OC)cc34)n[nH]2)c1
InChIInChI=1S/C24H20N6O2/c1-31-17-7-3-5-15(11-17)21-13-22(30-29-21)27-24-19-12-18(32-2)8-9-20(19)26-23(28-24)16-6-4-10-25-14-16/h3-14H,1-2H3,(H2,26,27,28,29,30)
InChIKeyFYNHTUXBVMFXIS-UHFFFAOYSA-N
MW424.46 g/mol
LogP4.84
Rot. Bonds6

About 6-methoxy-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-2-pyridin-3-ylquinazolin-4-amine

6-methoxy-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 71180169) has the molecular formula C24H20N6O2 and a molecular weight of 424.46 g/mol. Its IUPAC name is 6-methoxy-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-2-pyridin-3-ylquinazolin-4-amine
PubChem CID71180169
Molecular FormulaC24H20N6O2
Molecular Weight424.46 g/mol
Exact Mass424.16
IUPAC Name6-methoxy-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-2-pyridin-3-ylquinazolin-4-amine
SMILESCOc1cccc(-c2cc(Nc3nc(-c4cccnc4)nc4ccc(OC)cc34)n[nH]2)c1
InChIInChI=1S/C24H20N6O2/c1-31-17-7-3-5-15(11-17)21-13-22(30-29-21)27-24-19-12-18(32-2)8-9-20(19)26-23(28-24)16-6-4-10-25-14-16/h3-14H,1-2H3,(H2,26,27,28,29,30)
InChIKeyFYNHTUXBVMFXIS-UHFFFAOYSA-N
XLogP4.84
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of 6-methoxy-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-2-pyridin-3-ylquinazolin-4-amine (CID 71180169) is 6-methoxy-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for 6-methoxy-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for 6-methoxy-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-2-pyridin-3-ylquinazolin-4-amine is COc1cccc(-c2cc(Nc3nc(-c4cccnc4)nc4ccc(OC)cc34)n[nH]2)c1.
What is the InChIKey of 6-methoxy-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is FYNHTUXBVMFXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O2/c1-31-17-7-3-5-15(11-17)21-13-22(30-29-21)27-24-19-12-18(32-2)8-9-20(19)26-23(28-24)16-6-4-10-25-14-16/h3-14H,1-2H3,(H2,26,27,28,29,30).
What are the key properties of 6-methoxy-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-2-pyridin-3-ylquinazolin-4-amine?
6-methoxy-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 424.46 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 71180169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).