6-[(2,2-difluorocyclopentyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

C11H13F2N5O — CID 137239284

IUPAC6-[(2,2-difluorocyclopentyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(NCC2CCCC2(F)F)nc2[nH]ncc12
InChIInChI=1S/C11H13F2N5O/c12-11(13)3-1-2-6(11)4-14-10-16-8-7(5-15-18-8)9(19)17-10/h5-6H,1-4H2,(H3,14,15,16,17,18,19)
InChIKeyYLHWEHJMLHHQRO-UHFFFAOYSA-N
MW269.25 g/mol
LogP1.49
Rot. Bonds3

About 6-[(2,2-difluorocyclopentyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

6-[(2,2-difluorocyclopentyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137239284) has the molecular formula C11H13F2N5O and a molecular weight of 269.25 g/mol. Its IUPAC name is 6-[(2,2-difluorocyclopentyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(2,2-difluorocyclopentyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137239284
Molecular FormulaC11H13F2N5O
Molecular Weight269.25 g/mol
Exact Mass269.11
IUPAC Name6-[(2,2-difluorocyclopentyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(NCC2CCCC2(F)F)nc2[nH]ncc12
InChIInChI=1S/C11H13F2N5O/c12-11(13)3-1-2-6(11)4-14-10-16-8-7(5-15-18-8)9(19)17-10/h5-6H,1-4H2,(H3,14,15,16,17,18,19)
InChIKeyYLHWEHJMLHHQRO-UHFFFAOYSA-N
XLogP1.49
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,2-difluorocyclopentyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[(2,2-difluorocyclopentyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (CID 137239284) is 6-[(2,2-difluorocyclopentyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(2,2-difluorocyclopentyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[(2,2-difluorocyclopentyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is O=c1[nH]c(NCC2CCCC2(F)F)nc2[nH]ncc12.
What is the InChIKey of 6-[(2,2-difluorocyclopentyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is YLHWEHJMLHHQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N5O/c12-11(13)3-1-2-6(11)4-14-10-16-8-7(5-15-18-8)9(19)17-10/h5-6H,1-4H2,(H3,14,15,16,17,18,19).
What are the key properties of 6-[(2,2-difluorocyclopentyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
6-[(2,2-difluorocyclopentyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 269.25 g/mol, XLogP of 1.49, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,2-difluorocyclopentyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137239284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).