6-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]oxy-7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazoline

C24H24FN5O2 — CID 169231902

About 6-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]oxy-7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazoline

6-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]oxy-7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazoline (PubChem CID 169231902) has the molecular formula C24H24FN5O2 and a molecular weight of 433.49 g/mol. Its IUPAC name is 6-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]oxy-7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazoline.

Molecular Properties

• Compound Name: 6-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]oxy-7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazoline
• PubChem CID: 169231902
• Molecular Formula: C24H24FN5O2
• Molecular Weight: 433.49 g/mol
• Exact Mass: 433.19
• IUPAC Name: 6-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]oxy-7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazoline
• SMILES: COc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2cc1O[C@H]1CN(C)C[C@@H]1F
• InChI: InChI=1S/C24H24FN5O2/c1-29-12-18(25)22(13-29)32-21-9-16-19(10-20(21)31-3)26-14-27-24(16)17-11-30(2)28-23(17)15-7-5-4-6-8-15/h4-11,14,18,22H,12-13H2,1-3H3/t18-,22-/m0/s1
• InChIKey: UVVURNJXQRNBNE-AVRDEDQJSA-N
• XLogP: 3.74
• TPSA: 65.30 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.49
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]oxy-7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazoline?

The IUPAC name of 6-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]oxy-7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazoline (CID 169231902) is 6-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]oxy-7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazoline.

What is the SMILES notation for 6-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]oxy-7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazoline?

The canonical SMILES for 6-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]oxy-7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazoline is COc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2cc1O[C@H]1CN(C)C[C@@H]1F.

What is the InChIKey of 6-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]oxy-7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazoline?

The InChIKey is UVVURNJXQRNBNE-AVRDEDQJSA-N. The full InChI is InChI=1S/C24H24FN5O2/c1-29-12-18(25)22(13-29)32-21-9-16-19(10-20(21)31-3)26-14-27-24(16)17-11-30(2)28-23(17)15-7-5-4-6-8-15/h4-11,14,18,22H,12-13H2,1-3H3/t18-,22-/m0/s1.

What are the key properties of 6-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]oxy-7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazoline?

6-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]oxy-7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazoline has a molecular weight of 433.49 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]oxy-7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazoline is sourced from PubChem (CID 169231902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).