(3R)-3-(1-methylpyrazol-4-yl)-8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decane

C16H21N5O — CID 95042849

IUPAC(3R)-3-(1-methylpyrazol-4-yl)-8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decane
SMILESCn1cc([C@@H]2COC3(CCN(c4cnccn4)CC3)C2)cn1
InChIInChI=1S/C16H21N5O/c1-20-11-14(9-19-20)13-8-16(22-12-13)2-6-21(7-3-16)15-10-17-4-5-18-15/h4-5,9-11,13H,2-3,6-8,12H2,1H3/t13-/m0/s1
InChIKeyGTJWNIRJUWQOLY-ZDUSSCGKSA-N
MW299.38 g/mol
LogP1.75
Rot. Bonds2

About (3R)-3-(1-methylpyrazol-4-yl)-8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decane

(3R)-3-(1-methylpyrazol-4-yl)-8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decane (PubChem CID 95042849) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is (3R)-3-(1-methylpyrazol-4-yl)-8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3R)-3-(1-methylpyrazol-4-yl)-8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decane
PubChem CID95042849
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name(3R)-3-(1-methylpyrazol-4-yl)-8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decane
SMILESCn1cc([C@@H]2COC3(CCN(c4cnccn4)CC3)C2)cn1
InChIInChI=1S/C16H21N5O/c1-20-11-14(9-19-20)13-8-16(22-12-13)2-6-21(7-3-16)15-10-17-4-5-18-15/h4-5,9-11,13H,2-3,6-8,12H2,1H3/t13-/m0/s1
InChIKeyGTJWNIRJUWQOLY-ZDUSSCGKSA-N
XLogP1.75
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1-methylpyrazol-4-yl)-8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3R)-3-(1-methylpyrazol-4-yl)-8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decane (CID 95042849) is (3R)-3-(1-methylpyrazol-4-yl)-8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3R)-3-(1-methylpyrazol-4-yl)-8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3R)-3-(1-methylpyrazol-4-yl)-8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decane is Cn1cc([C@@H]2COC3(CCN(c4cnccn4)CC3)C2)cn1.
What is the InChIKey of (3R)-3-(1-methylpyrazol-4-yl)-8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is GTJWNIRJUWQOLY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21N5O/c1-20-11-14(9-19-20)13-8-16(22-12-13)2-6-21(7-3-16)15-10-17-4-5-18-15/h4-5,9-11,13H,2-3,6-8,12H2,1H3/t13-/m0/s1.
What are the key properties of (3R)-3-(1-methylpyrazol-4-yl)-8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decane?
(3R)-3-(1-methylpyrazol-4-yl)-8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 299.38 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1-methylpyrazol-4-yl)-8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 95042849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).