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

C16H11F2N5O2 — CID 135973006

IUPAC2-[2-(3,4-difluoro-2-hydroxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1NCCn2nc(-c3ccnc(-c4ccc(F)c(F)c4O)n3)cc21
InChIInChI=1S/C16H11F2N5O2/c17-9-2-1-8(14(24)13(9)18)15-19-4-3-10(21-15)11-7-12-16(25)20-5-6-23(12)22-11/h1-4,7,24H,5-6H2,(H,20,25)
InChIKeyAJRVJONLFALDQI-UHFFFAOYSA-N
MW343.29 g/mol
LogP1.73
Rot. Bonds2

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

2-[2-(3,4-difluoro-2-hydroxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 135973006) has the molecular formula C16H11F2N5O2 and a molecular weight of 343.29 g/mol. Its IUPAC name is 2-[2-(3,4-difluoro-2-hydroxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-[2-(3,4-difluoro-2-hydroxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID135973006
Molecular FormulaC16H11F2N5O2
Molecular Weight343.29 g/mol
Exact Mass343.09
IUPAC Name2-[2-(3,4-difluoro-2-hydroxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1NCCn2nc(-c3ccnc(-c4ccc(F)c(F)c4O)n3)cc21
InChIInChI=1S/C16H11F2N5O2/c17-9-2-1-8(14(24)13(9)18)15-19-4-3-10(21-15)11-7-12-16(25)20-5-6-23(12)22-11/h1-4,7,24H,5-6H2,(H,20,25)
InChIKeyAJRVJONLFALDQI-UHFFFAOYSA-N
XLogP1.73
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.29
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(4-Hydroxyphenyl)-1-methylpyrazol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 137653907
5-(4-hydroxyphenyl)-1-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrazole-3-carboxamide
CID 137657257
4-[3,5-bis(2-hydroxyphenyl)-1,2,4-triazol-1-yl]-N-(2-pyridin-2-ylethyl)benzamide
CID 177653912
4-[3,5-bis(2-hydroxyphenyl)-1,2,4-triazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide
CID 177656052
4-[3,5-bis(2-hydroxyphenyl)-1,2,4-triazol-1-yl]-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide
CID 177656237
4-[3,5-bis(2-hydroxyphenyl)-1,2,4-triazol-1-yl]-N-(pyrimidin-2-ylmethyl)benzamide
CID 177665990
N-[(3-hydroxyphenyl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
CID 75421617
[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]-[3-hydroxy-4-(pyrimidin-2-ylamino)piperidin-1-yl]methanone
CID 171359930
N-[[4-hydroxy-3-(trifluoromethyl)phenyl]carbamoyl]-1,3-dimethyl-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 10184948
4-[4-(2-fluoro-6-hydroxybenzoyl)piperazin-1-yl]-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]butanenitrile
CID 50996359
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-fluoro-2-hydroxy-4-methylphenyl)methanone
CID 58029486
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3,4-difluoro-2-hydroxyphenyl)methanone
CID 58030250

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-difluoro-2-hydroxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-[2-(3,4-difluoro-2-hydroxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 135973006) is 2-[2-(3,4-difluoro-2-hydroxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-[2-(3,4-difluoro-2-hydroxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-[2-(3,4-difluoro-2-hydroxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is O=C1NCCn2nc(-c3ccnc(-c4ccc(F)c(F)c4O)n3)cc21.
What is the InChIKey of 2-[2-(3,4-difluoro-2-hydroxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is AJRVJONLFALDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N5O2/c17-9-2-1-8(14(24)13(9)18)15-19-4-3-10(21-15)11-7-12-16(25)20-5-6-23(12)22-11/h1-4,7,24H,5-6H2,(H,20,25).
What are the key properties of 2-[2-(3,4-difluoro-2-hydroxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
2-[2-(3,4-difluoro-2-hydroxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 343.29 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-difluoro-2-hydroxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 135973006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).