3-cyclopropyl-6-[(5-methoxy-2-pyridinyl)methyl]-1-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C24H23F3N6O2 — CID 137289732

About 3-cyclopropyl-6-[(5-methoxy-2-pyridinyl)methyl]-1-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

3-cyclopropyl-6-[(5-methoxy-2-pyridinyl)methyl]-1-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137289732) has the molecular formula C24H23F3N6O2 and a molecular weight of 484.48 g/mol. Its IUPAC name is 3-cyclopropyl-6-[(5-methoxy-2-pyridinyl)methyl]-1-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 3-cyclopropyl-6-[(5-methoxy-2-pyridinyl)methyl]-1-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
• PubChem CID: 137289732
• Molecular Formula: C24H23F3N6O2
• Molecular Weight: 484.48 g/mol
• Exact Mass: 484.18
• IUPAC Name: 3-cyclopropyl-6-[(5-methoxy-2-pyridinyl)methyl]-1-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
• SMILES: CC[C@H](c1ccc(C(F)(F)F)nc1)n1nc(C2CC2)c2c(=O)[nH]c(Cc3ccc(OC)cn3)nc21
• InChI: InChI=1S/C24H23F3N6O2/c1-3-17(14-6-9-18(29-11-14)24(25,26)27)33-22-20(21(32-33)13-4-5-13)23(34)31-19(30-22)10-15-7-8-16(35-2)12-28-15/h6-9,11-13,17H,3-5,10H2,1-2H3,(H,30,31,34)/t17-/m1/s1
• InChIKey: UOOMNIIZYHCLLH-QGZVFWFLSA-N
• XLogP: 4.40
• TPSA: 98.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.48
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-[(5-methoxy-2-pyridinyl)methyl]-1-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The IUPAC name of 3-cyclopropyl-6-[(5-methoxy-2-pyridinyl)methyl]-1-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137289732) is 3-cyclopropyl-6-[(5-methoxy-2-pyridinyl)methyl]-1-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

What is the SMILES notation for 3-cyclopropyl-6-[(5-methoxy-2-pyridinyl)methyl]-1-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The canonical SMILES for 3-cyclopropyl-6-[(5-methoxy-2-pyridinyl)methyl]-1-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC[C@H](c1ccc(C(F)(F)F)nc1)n1nc(C2CC2)c2c(=O)[nH]c(Cc3ccc(OC)cn3)nc21.

What is the InChIKey of 3-cyclopropyl-6-[(5-methoxy-2-pyridinyl)methyl]-1-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The InChIKey is UOOMNIIZYHCLLH-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H23F3N6O2/c1-3-17(14-6-9-18(29-11-14)24(25,26)27)33-22-20(21(32-33)13-4-5-13)23(34)31-19(30-22)10-15-7-8-16(35-2)12-28-15/h6-9,11-13,17H,3-5,10H2,1-2H3,(H,30,31,34)/t17-/m1/s1.

What are the key properties of 3-cyclopropyl-6-[(5-methoxy-2-pyridinyl)methyl]-1-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?

3-cyclopropyl-6-[(5-methoxy-2-pyridinyl)methyl]-1-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 484.48 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopropyl-6-[(5-methoxy-2-pyridinyl)methyl]-1-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137289732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).