(7S)-4,8-dimethyl-7-propan-2-yl-2-[2-[1-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazol-4-yl]ethyl]-5,7-dihydropteridin-6-one

C24H28F3N7O — CID 159698862

About (7S)-4,8-dimethyl-7-propan-2-yl-2-[2-[1-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazol-4-yl]ethyl]-5,7-dihydropteridin-6-one

(7S)-4,8-dimethyl-7-propan-2-yl-2-[2-[1-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazol-4-yl]ethyl]-5,7-dihydropteridin-6-one (PubChem CID 159698862) has the molecular formula C24H28F3N7O and a molecular weight of 487.53 g/mol. Its IUPAC name is (7S)-4,8-dimethyl-7-propan-2-yl-2-[2-[1-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazol-4-yl]ethyl]-5,7-dihydropteridin-6-one.

Molecular Properties

• Compound Name: (7S)-4,8-dimethyl-7-propan-2-yl-2-[2-[1-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazol-4-yl]ethyl]-5,7-dihydropteridin-6-one
• PubChem CID: 159698862
• Molecular Formula: C24H28F3N7O
• Molecular Weight: 487.53 g/mol
• Exact Mass: 487.23
• IUPAC Name: (7S)-4,8-dimethyl-7-propan-2-yl-2-[2-[1-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazol-4-yl]ethyl]-5,7-dihydropteridin-6-one
• SMILES: Cc1nc(CCc2cnn([C@@H](C)c3ccc(C(F)(F)F)nc3)c2)nc2c1NC(=O)[C@H](C(C)C)N2C
• InChI: InChI=1S/C24H28F3N7O/c1-13(2)21-23(35)32-20-14(3)30-19(31-22(20)33(21)5)9-6-16-10-29-34(12-16)15(4)17-7-8-18(28-11-17)24(25,26)27/h7-8,10-13,15,21H,6,9H2,1-5H3,(H,32,35)/t15-,21-/m0/s1
• InChIKey: UUGZEFYSSKVTOD-BTYIYWSLSA-N
• XLogP: 4.20
• TPSA: 88.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.53
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (7S)-4,8-dimethyl-7-propan-2-yl-2-[2-[1-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazol-4-yl]ethyl]-5,7-dihydropteridin-6-one?

The IUPAC name of (7S)-4,8-dimethyl-7-propan-2-yl-2-[2-[1-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazol-4-yl]ethyl]-5,7-dihydropteridin-6-one (CID 159698862) is (7S)-4,8-dimethyl-7-propan-2-yl-2-[2-[1-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazol-4-yl]ethyl]-5,7-dihydropteridin-6-one.

What is the SMILES notation for (7S)-4,8-dimethyl-7-propan-2-yl-2-[2-[1-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazol-4-yl]ethyl]-5,7-dihydropteridin-6-one?

The canonical SMILES for (7S)-4,8-dimethyl-7-propan-2-yl-2-[2-[1-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazol-4-yl]ethyl]-5,7-dihydropteridin-6-one is Cc1nc(CCc2cnn([C@@H](C)c3ccc(C(F)(F)F)nc3)c2)nc2c1NC(=O)[C@H](C(C)C)N2C.

What is the InChIKey of (7S)-4,8-dimethyl-7-propan-2-yl-2-[2-[1-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazol-4-yl]ethyl]-5,7-dihydropteridin-6-one?

The InChIKey is UUGZEFYSSKVTOD-BTYIYWSLSA-N. The full InChI is InChI=1S/C24H28F3N7O/c1-13(2)21-23(35)32-20-14(3)30-19(31-22(20)33(21)5)9-6-16-10-29-34(12-16)15(4)17-7-8-18(28-11-17)24(25,26)27/h7-8,10-13,15,21H,6,9H2,1-5H3,(H,32,35)/t15-,21-/m0/s1.

What are the key properties of (7S)-4,8-dimethyl-7-propan-2-yl-2-[2-[1-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazol-4-yl]ethyl]-5,7-dihydropteridin-6-one?

(7S)-4,8-dimethyl-7-propan-2-yl-2-[2-[1-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazol-4-yl]ethyl]-5,7-dihydropteridin-6-one has a molecular weight of 487.53 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (7S)-4,8-dimethyl-7-propan-2-yl-2-[2-[1-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazol-4-yl]ethyl]-5,7-dihydropteridin-6-one is sourced from PubChem (CID 159698862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).