6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

C17H18F3N5O2 — CID 71789381

IUPAC6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESO=C(c1cc2n(n1)CCCO2)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C17H18F3N5O2/c18-17(19,20)12-2-3-14(21-11-12)23-5-7-24(8-6-23)16(26)13-10-15-25(22-13)4-1-9-27-15/h2-3,10-11H,1,4-9H2
InChIKeyXEIZJYJUMVKZKA-UHFFFAOYSA-N
MW381.36 g/mol
LogP2.04
Rot. Bonds2

About 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (PubChem CID 71789381) has the molecular formula C17H18F3N5O2 and a molecular weight of 381.36 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
PubChem CID71789381
Molecular FormulaC17H18F3N5O2
Molecular Weight381.36 g/mol
Exact Mass381.14
IUPAC Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESO=C(c1cc2n(n1)CCCO2)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C17H18F3N5O2/c18-17(19,20)12-2-3-14(21-11-12)23-5-7-24(8-6-23)16(26)13-10-15-25(22-13)4-1-9-27-15/h2-3,10-11H,1,4-9H2
InChIKeyXEIZJYJUMVKZKA-UHFFFAOYSA-N
XLogP2.04
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.36
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(5-Methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67973635
5-(5-fluoropyridin-2-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
CID 67974411
2-(Phenoxymethyl)-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67974497
2-[(3-Fluorophenoxy)methyl]-5-(5-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 70654545
(7R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 122190403
(7R)-5-(5-fluoro-2-pyridinyl)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 122190406
[(3S)-3-[[6-[6-methoxy-5-(trifluoromethyl)pyridin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 57495283
US11597728, Example 291
CID 146480294
7-(2,2-Difluoroethoxy)-2-methyl-5-pyridin-3-ylpyrazolo[3,4-c][1,8]naphthyridin-4-one
CID 172525350
[(2S,3R)-5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-[4-(5-fluoropyrimidin-2-yl)-1-methylpyrazol-3-yl]methanone
CID 130342120
[(2S,3R)-5,5-difluoro-2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-methylpiperidin-1-yl]-(1-methyl-4-pyrimidin-2-ylpyrazol-3-yl)methanone
CID 130342124
2-(((4-(Difluoromethoxy)-2-fluorophenyl)amino)methyl)-5-(5-methylpyridin-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5h)-one
CID 118575168

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (CID 71789381) is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.
What is the SMILES notation for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The canonical SMILES for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is O=C(c1cc2n(n1)CCCO2)N1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The InChIKey is XEIZJYJUMVKZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N5O2/c18-17(19,20)12-2-3-14(21-11-12)23-5-7-24(8-6-23)16(26)13-10-15-25(22-13)4-1-9-27-15/h2-3,10-11H,1,4-9H2.
What are the key properties of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 381.36 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 71789381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).