5-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one

C23H17F3N4O — CID 150786824

About 5-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one

5-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one (PubChem CID 150786824) has the molecular formula C23H17F3N4O and a molecular weight of 422.41 g/mol. Its IUPAC name is 5-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one.

Molecular Properties

• Compound Name: 5-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one
• PubChem CID: 150786824
• Molecular Formula: C23H17F3N4O
• Molecular Weight: 422.41 g/mol
• Exact Mass: 422.14
• IUPAC Name: 5-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one
• SMILES: Cc1cc(-c2ncc3cc(C(F)(F)F)ccc3n2)ccc1C1CCn2nccc2C1=O
• InChI: InChI=1S/C23H17F3N4O/c1-13-10-14(2-4-17(13)18-7-9-30-20(21(18)31)6-8-28-30)22-27-12-15-11-16(23(24,25)26)3-5-19(15)29-22/h2-6,8,10-12,18H,7,9H2,1H3
• InChIKey: KDAKUTSTGHLLKQ-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 60.67 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	422.41
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one?

The IUPAC name of 5-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one (CID 150786824) is 5-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one.

What is the SMILES notation for 5-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one?

The canonical SMILES for 5-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one is Cc1cc(-c2ncc3cc(C(F)(F)F)ccc3n2)ccc1C1CCn2nccc2C1=O.

What is the InChIKey of 5-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one?

The InChIKey is KDAKUTSTGHLLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O/c1-13-10-14(2-4-17(13)18-7-9-30-20(21(18)31)6-8-28-30)22-27-12-15-11-16(23(24,25)26)3-5-19(15)29-22/h2-6,8,10-12,18H,7,9H2,1H3.

What are the key properties of 5-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one?

5-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one has a molecular weight of 422.41 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one is sourced from PubChem (CID 150786824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).