2-(2,6-difluorophenyl)-4-(2-piperidin-4-ylhydrazinyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one

C17H18F2N6O — CID 166987661

IUPAC2-(2,6-difluorophenyl)-4-(2-piperidin-4-ylhydrazinyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
SMILESO=C1NCc2nc(-c3c(F)cccc3F)nc(NNC3CCNCC3)c21
InChIInChI=1S/C17H18F2N6O/c18-10-2-1-3-11(19)13(10)15-22-12-8-21-17(26)14(12)16(23-15)25-24-9-4-6-20-7-5-9/h1-3,9,20,24H,4-8H2,(H,21,26)(H,22,23,25)
InChIKeyTYXKWVCUOAYQRQ-UHFFFAOYSA-N
MW360.37 g/mol
LogP1.33
Rot. Bonds4

About 2-(2,6-difluorophenyl)-4-(2-piperidin-4-ylhydrazinyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one

2-(2,6-difluorophenyl)-4-(2-piperidin-4-ylhydrazinyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one (PubChem CID 166987661) has the molecular formula C17H18F2N6O and a molecular weight of 360.37 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-(2-piperidin-4-ylhydrazinyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-(2-piperidin-4-ylhydrazinyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
PubChem CID166987661
Molecular FormulaC17H18F2N6O
Molecular Weight360.37 g/mol
Exact Mass360.15
IUPAC Name2-(2,6-difluorophenyl)-4-(2-piperidin-4-ylhydrazinyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
SMILESO=C1NCc2nc(-c3c(F)cccc3F)nc(NNC3CCNCC3)c21
InChIInChI=1S/C17H18F2N6O/c18-10-2-1-3-11(19)13(10)15-22-12-8-21-17(26)14(12)16(23-15)25-24-9-4-6-20-7-5-9/h1-3,9,20,24H,4-8H2,(H,21,26)(H,22,23,25)
InChIKeyTYXKWVCUOAYQRQ-UHFFFAOYSA-N
XLogP1.33
TPSA90.97 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 51.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-(2-piperidin-4-ylhydrazinyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one?
The IUPAC name of 2-(2,6-difluorophenyl)-4-(2-piperidin-4-ylhydrazinyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one (CID 166987661) is 2-(2,6-difluorophenyl)-4-(2-piperidin-4-ylhydrazinyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-(2-piperidin-4-ylhydrazinyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-(2-piperidin-4-ylhydrazinyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one is O=C1NCc2nc(-c3c(F)cccc3F)nc(NNC3CCNCC3)c21.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-(2-piperidin-4-ylhydrazinyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one?
The InChIKey is TYXKWVCUOAYQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N6O/c18-10-2-1-3-11(19)13(10)15-22-12-8-21-17(26)14(12)16(23-15)25-24-9-4-6-20-7-5-9/h1-3,9,20,24H,4-8H2,(H,21,26)(H,22,23,25).
What are the key properties of 2-(2,6-difluorophenyl)-4-(2-piperidin-4-ylhydrazinyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one?
2-(2,6-difluorophenyl)-4-(2-piperidin-4-ylhydrazinyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one has a molecular weight of 360.37 g/mol, XLogP of 1.33, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4-(2-piperidin-4-ylhydrazinyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one is sourced from PubChem (CID 166987661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).