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

C15H18F2N6O3 — CID 70350648

IUPAC4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one
SMILESNc1ccn([C@@H]2O[C@H](CN3CCn4nccc4C3)[C@@H](O)C2(F)F)c(=O)n1
InChIInChI=1S/C15H18F2N6O3/c16-15(17)12(24)10(8-21-5-6-23-9(7-21)1-3-19-23)26-13(15)22-4-2-11(18)20-14(22)25/h1-4,10,12-13,24H,5-8H2,(H2,18,20,25)/t10-,12-,13-/m1/s1
InChIKeyMKUIYMQGVZUIHW-RAIGVLPGSA-N
MW368.34 g/mol
LogP-0.57
Rot. Bonds3

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

4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one (PubChem CID 70350648) has the molecular formula C15H18F2N6O3 and a molecular weight of 368.34 g/mol. Its IUPAC name is 4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one
PubChem CID70350648
Molecular FormulaC15H18F2N6O3
Molecular Weight368.34 g/mol
Exact Mass368.14
IUPAC Name4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one
SMILESNc1ccn([C@@H]2O[C@H](CN3CCn4nccc4C3)[C@@H](O)C2(F)F)c(=O)n1
InChIInChI=1S/C15H18F2N6O3/c16-15(17)12(24)10(8-21-5-6-23-9(7-21)1-3-19-23)26-13(15)22-4-2-11(18)20-14(22)25/h1-4,10,12-13,24H,5-8H2,(H2,18,20,25)/t10-,12-,13-/m1/s1
InChIKeyMKUIYMQGVZUIHW-RAIGVLPGSA-N
XLogP-0.57
TPSA111.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Related Compounds

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
4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one
CID 70350659
4-amino-1-[(2R,4R,5R)-5-[(7,8-difluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one
CID 70350624
4-amino-1-[(2R,4R,5S)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 6093357
4-amino-1-[(2S,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl](213C,1,3-15N2)pyrimidin-2-one
CID 129010189
4-amino-1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 11054511
4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[(3-imino-4-methanimidoylpiperidin-1-yl)methyl]oxolan-2-yl]pyrimidin-2-one
CID 123856148
4-amino-1-[(2S,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;hydrochloride
CID 117072635
4-amino-1-[(2R,4R,5S)-5-(chloromethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one
CID 58364591
potassium;4-amino-1-[(4S)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;carbanide
CID 156727396
4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]oxolan-2-yl]pyrimidin-2-one
CID 70350673
4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 90213479

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one (CID 70350648) is 4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one is Nc1ccn([C@@H]2O[C@H](CN3CCn4nccc4C3)[C@@H](O)C2(F)F)c(=O)n1.
What is the InChIKey of 4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one?
The InChIKey is MKUIYMQGVZUIHW-RAIGVLPGSA-N. The full InChI is InChI=1S/C15H18F2N6O3/c16-15(17)12(24)10(8-21-5-6-23-9(7-21)1-3-19-23)26-13(15)22-4-2-11(18)20-14(22)25/h1-4,10,12-13,24H,5-8H2,(H2,18,20,25)/t10-,12-,13-/m1/s1.
What are the key properties of 4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one?
4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one has a molecular weight of 368.34 g/mol, XLogP of -0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 70350648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).