(2R,3S)-4-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2,3-dimethylmorpholine

C25H27N5O2 — CID 169231594

About (2R,3S)-4-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2,3-dimethylmorpholine

(2R,3S)-4-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2,3-dimethylmorpholine (PubChem CID 169231594) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is (2R,3S)-4-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2,3-dimethylmorpholine.

Molecular Properties

• Compound Name: (2R,3S)-4-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2,3-dimethylmorpholine
• PubChem CID: 169231594
• Molecular Formula: C25H27N5O2
• Molecular Weight: 429.52 g/mol
• Exact Mass: 429.22
• IUPAC Name: (2R,3S)-4-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2,3-dimethylmorpholine
• SMILES: COc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2cc1N1CCO[C@H](C)[C@@H]1C
• InChI: InChI=1S/C25H27N5O2/c1-16-17(2)32-11-10-30(16)22-12-19-21(13-23(22)31-4)26-15-27-25(19)20-14-29(3)28-24(20)18-8-6-5-7-9-18/h5-9,12-17H,10-11H2,1-4H3/t16-,17+/m0/s1
• InChIKey: YGBPZJLAVFOQEE-DLBZAZTESA-N
• XLogP: 4.32
• TPSA: 65.30 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.52
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-4-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2,3-dimethylmorpholine?

The IUPAC name of (2R,3S)-4-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2,3-dimethylmorpholine (CID 169231594) is (2R,3S)-4-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2,3-dimethylmorpholine.

What is the SMILES notation for (2R,3S)-4-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2,3-dimethylmorpholine?

The canonical SMILES for (2R,3S)-4-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2,3-dimethylmorpholine is COc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2cc1N1CCO[C@H](C)[C@@H]1C.

What is the InChIKey of (2R,3S)-4-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2,3-dimethylmorpholine?

The InChIKey is YGBPZJLAVFOQEE-DLBZAZTESA-N. The full InChI is InChI=1S/C25H27N5O2/c1-16-17(2)32-11-10-30(16)22-12-19-21(13-23(22)31-4)26-15-27-25(19)20-14-29(3)28-24(20)18-8-6-5-7-9-18/h5-9,12-17H,10-11H2,1-4H3/t16-,17+/m0/s1.

What are the key properties of (2R,3S)-4-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2,3-dimethylmorpholine?

(2R,3S)-4-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2,3-dimethylmorpholine has a molecular weight of 429.52 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S)-4-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2,3-dimethylmorpholine is sourced from PubChem (CID 169231594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).