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

C17H24N6O — CID 97492192

IUPAC(6S)-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-/m0/s1
InChIKeyPCVOEKQNNQEDFY-KRWDZBQOSA-N
MW328.42 g/mol
LogP1.08
Rot. Bonds3

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

(6S)-4-[(1-methylpyrazol-4-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane (PubChem CID 97492192) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is (6S)-4-[(1-methylpyrazol-4-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name(6S)-4-[(1-methylpyrazol-4-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
PubChem CID97492192
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name(6S)-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-/m0/s1
InChIKeyPCVOEKQNNQEDFY-KRWDZBQOSA-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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Frequently Asked Questions

What is the IUPAC name of (6S)-4-[(1-methylpyrazol-4-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
The IUPAC name of (6S)-4-[(1-methylpyrazol-4-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane (CID 97492192) is (6S)-4-[(1-methylpyrazol-4-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane.
What is the SMILES notation for (6S)-4-[(1-methylpyrazol-4-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
The canonical SMILES for (6S)-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 (6S)-4-[(1-methylpyrazol-4-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
The InChIKey is PCVOEKQNNQEDFY-KRWDZBQOSA-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-/m0/s1.
What are the key properties of (6S)-4-[(1-methylpyrazol-4-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
(6S)-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 (6S)-4-[(1-methylpyrazol-4-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 97492192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).