1-cyclopentyl-6-[(1R)-1-[3-(5-cyclopropylpyrimidin-2-yl)azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C22H27N7O — CID 135873902

About 1-cyclopentyl-6-[(1R)-1-[3-(5-cyclopropylpyrimidin-2-yl)azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-cyclopentyl-6-[(1R)-1-[3-(5-cyclopropylpyrimidin-2-yl)azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135873902) has the molecular formula C22H27N7O and a molecular weight of 405.51 g/mol. Its IUPAC name is 1-cyclopentyl-6-[(1R)-1-[3-(5-cyclopropylpyrimidin-2-yl)azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 1-cyclopentyl-6-[(1R)-1-[3-(5-cyclopropylpyrimidin-2-yl)azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
• PubChem CID: 135873902
• Molecular Formula: C22H27N7O
• Molecular Weight: 405.51 g/mol
• Exact Mass: 405.23
• IUPAC Name: 1-cyclopentyl-6-[(1R)-1-[3-(5-cyclopropylpyrimidin-2-yl)azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
• SMILES: C[C@H](c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CC(c2ncc(C3CC3)cn2)C1
• InChI: InChI=1S/C22H27N7O/c1-13(28-11-16(12-28)20-23-8-15(9-24-20)14-6-7-14)19-26-21-18(22(30)27-19)10-25-29(21)17-4-2-3-5-17/h8-10,13-14,16-17H,2-7,11-12H2,1H3,(H,26,27,30)/t13-/m1/s1
• InChIKey: FVTQGFQJHHDLDY-CYBMUJFWSA-N
• XLogP: 3.06
• TPSA: 92.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.51
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-6-[(1R)-1-[3-(5-cyclopropylpyrimidin-2-yl)azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The IUPAC name of 1-cyclopentyl-6-[(1R)-1-[3-(5-cyclopropylpyrimidin-2-yl)azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135873902) is 1-cyclopentyl-6-[(1R)-1-[3-(5-cyclopropylpyrimidin-2-yl)azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

What is the SMILES notation for 1-cyclopentyl-6-[(1R)-1-[3-(5-cyclopropylpyrimidin-2-yl)azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The canonical SMILES for 1-cyclopentyl-6-[(1R)-1-[3-(5-cyclopropylpyrimidin-2-yl)azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is C[C@H](c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CC(c2ncc(C3CC3)cn2)C1.

What is the InChIKey of 1-cyclopentyl-6-[(1R)-1-[3-(5-cyclopropylpyrimidin-2-yl)azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The InChIKey is FVTQGFQJHHDLDY-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H27N7O/c1-13(28-11-16(12-28)20-23-8-15(9-24-20)14-6-7-14)19-26-21-18(22(30)27-19)10-25-29(21)17-4-2-3-5-17/h8-10,13-14,16-17H,2-7,11-12H2,1H3,(H,26,27,30)/t13-/m1/s1.

What are the key properties of 1-cyclopentyl-6-[(1R)-1-[3-(5-cyclopropylpyrimidin-2-yl)azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?

1-cyclopentyl-6-[(1R)-1-[3-(5-cyclopropylpyrimidin-2-yl)azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 405.51 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopentyl-6-[(1R)-1-[3-(5-cyclopropylpyrimidin-2-yl)azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135873902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).