(6R)-4-[(1-methylpyrazol-4-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane

C17H24N6O — CID 97492191

IUPAC(6R)-4-[(1-methylpyrazol-4-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESCn1cc(CN2CCO[C@]3(CCCN(c4cnccn4)C3)C2)cn1
InChIInChI=1S/C17H24N6O/c1-21-11-15(9-20-21)12-22-7-8-24-17(13-22)3-2-6-23(14-17)16-10-18-4-5-19-16/h4-5,9-11H,2-3,6-8,12-14H2,1H3/t17-/m1/s1
InChIKeyPCVOEKQNNQEDFY-QGZVFWFLSA-N
MW328.42 g/mol
LogP1.08
Rot. Bonds3

About (6R)-4-[(1-methylpyrazol-4-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane

(6R)-4-[(1-methylpyrazol-4-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane (PubChem CID 97492191) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is (6R)-4-[(1-methylpyrazol-4-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name(6R)-4-[(1-methylpyrazol-4-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
PubChem CID97492191
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name(6R)-4-[(1-methylpyrazol-4-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESCn1cc(CN2CCO[C@]3(CCCN(c4cnccn4)C3)C2)cn1
InChIInChI=1S/C17H24N6O/c1-21-11-15(9-20-21)12-22-7-8-24-17(13-22)3-2-6-23(14-17)16-10-18-4-5-19-16/h4-5,9-11H,2-3,6-8,12-14H2,1H3/t17-/m1/s1
InChIKeyPCVOEKQNNQEDFY-QGZVFWFLSA-N
XLogP1.08
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(6R)-8-(5-fluoropyrimidin-2-yl)-4-[(1-methylpyrazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97492259
(6S)-8-(5-fluoropyrimidin-2-yl)-4-[(1-methylpyrazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97492260
(6R)-8-(5-fluoropyrimidin-2-yl)-4-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97492261
(6S)-8-(5-fluoropyrimidin-2-yl)-4-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97492262
8-(5-Fluoropyrimidin-2-yl)-4-[(1-methylpyrazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane
CID 131640021
8-(5-Fluoropyrimidin-2-yl)-4-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane
CID 131655313
4-[(1-Methylpyrazol-4-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane;bis(2,2,2-trifluoroacetic acid)
CID 155863300
4-[(1-Methylpyrazol-4-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
CID 171672984
4-[(1-Methylimidazol-2-yl)methyl]-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 134072498
[1-[3-[4-[(1-Ethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol
CID 59438213
2-[4-[[4-[3-(4-Methylpiperidin-1-yl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]ethanol
CID 59438223
2-[4-[(1,5-Dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-[4-(methoxymethyl)piperidin-1-yl]pyrazine
CID 59438229

Frequently Asked Questions

What is the IUPAC name of (6R)-4-[(1-methylpyrazol-4-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
The IUPAC name of (6R)-4-[(1-methylpyrazol-4-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane (CID 97492191) is (6R)-4-[(1-methylpyrazol-4-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane.
What is the SMILES notation for (6R)-4-[(1-methylpyrazol-4-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
The canonical SMILES for (6R)-4-[(1-methylpyrazol-4-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane is Cn1cc(CN2CCO[C@]3(CCCN(c4cnccn4)C3)C2)cn1.
What is the InChIKey of (6R)-4-[(1-methylpyrazol-4-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
The InChIKey is PCVOEKQNNQEDFY-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H24N6O/c1-21-11-15(9-20-21)12-22-7-8-24-17(13-22)3-2-6-23(14-17)16-10-18-4-5-19-16/h4-5,9-11H,2-3,6-8,12-14H2,1H3/t17-/m1/s1.
What are the key properties of (6R)-4-[(1-methylpyrazol-4-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
(6R)-4-[(1-methylpyrazol-4-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane has a molecular weight of 328.42 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-[(1-methylpyrazol-4-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 97492191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).