1-[(2R,4R,5R)-5-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]-4-methylpyrimidin-2-one

C16H19F2N5O3 — CID 70350784

IUPAC1-[(2R,4R,5R)-5-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]-4-methylpyrimidin-2-one
SMILESCc1ccn([C@@H]2O[C@H](CN3CCn4nccc4C3)[C@@H](O)C2(F)F)c(=O)n1
InChIInChI=1S/C16H19F2N5O3/c1-10-3-5-22(15(25)20-10)14-16(17,18)13(24)12(26-14)9-21-6-7-23-11(8-21)2-4-19-23/h2-5,12-14,24H,6-9H2,1H3/t12-,13-,14-/m1/s1
InChIKeyZYNPFRUKEYOYQC-MGPQQGTHSA-N
MW367.36 g/mol
LogP0.16
Rot. Bonds3

About 1-[(2R,4R,5R)-5-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]-4-methylpyrimidin-2-one

1-[(2R,4R,5R)-5-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]-4-methylpyrimidin-2-one (PubChem CID 70350784) has the molecular formula C16H19F2N5O3 and a molecular weight of 367.36 g/mol. Its IUPAC name is 1-[(2R,4R,5R)-5-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]-4-methylpyrimidin-2-one.

Molecular Properties

Compound Name1-[(2R,4R,5R)-5-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]-4-methylpyrimidin-2-one
PubChem CID70350784
Molecular FormulaC16H19F2N5O3
Molecular Weight367.36 g/mol
Exact Mass367.15
IUPAC Name1-[(2R,4R,5R)-5-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]-4-methylpyrimidin-2-one
SMILESCc1ccn([C@@H]2O[C@H](CN3CCn4nccc4C3)[C@@H](O)C2(F)F)c(=O)n1
InChIInChI=1S/C16H19F2N5O3/c1-10-3-5-22(15(25)20-10)14-16(17,18)13(24)12(26-14)9-21-6-7-23-11(8-21)2-4-19-23/h2-5,12-14,24H,6-9H2,1H3/t12-,13-,14-/m1/s1
InChIKeyZYNPFRUKEYOYQC-MGPQQGTHSA-N
XLogP0.16
TPSA85.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[(2R,4R,5R)-5-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]-4-methylpyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4R,5R)-5-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]-4-methylpyrimidin-2-one?
The IUPAC name of 1-[(2R,4R,5R)-5-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]-4-methylpyrimidin-2-one (CID 70350784) is 1-[(2R,4R,5R)-5-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]-4-methylpyrimidin-2-one.
What is the SMILES notation for 1-[(2R,4R,5R)-5-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]-4-methylpyrimidin-2-one?
The canonical SMILES for 1-[(2R,4R,5R)-5-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]-4-methylpyrimidin-2-one is Cc1ccn([C@@H]2O[C@H](CN3CCn4nccc4C3)[C@@H](O)C2(F)F)c(=O)n1.
What is the InChIKey of 1-[(2R,4R,5R)-5-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]-4-methylpyrimidin-2-one?
The InChIKey is ZYNPFRUKEYOYQC-MGPQQGTHSA-N. The full InChI is InChI=1S/C16H19F2N5O3/c1-10-3-5-22(15(25)20-10)14-16(17,18)13(24)12(26-14)9-21-6-7-23-11(8-21)2-4-19-23/h2-5,12-14,24H,6-9H2,1H3/t12-,13-,14-/m1/s1.
What are the key properties of 1-[(2R,4R,5R)-5-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]-4-methylpyrimidin-2-one?
1-[(2R,4R,5R)-5-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]-4-methylpyrimidin-2-one has a molecular weight of 367.36 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4R,5R)-5-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]-4-methylpyrimidin-2-one is sourced from PubChem (CID 70350784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).