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

C16H21N5O — CID 95042848

IUPAC(3S)-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-/m1/s1
InChIKeyGTJWNIRJUWQOLY-CYBMUJFWSA-N
MW299.38 g/mol
LogP1.75
Rot. Bonds2

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

(3S)-3-(1-methylpyrazol-4-yl)-8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decane (PubChem CID 95042848) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is (3S)-3-(1-methylpyrazol-4-yl)-8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3S)-3-(1-methylpyrazol-4-yl)-8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decane
PubChem CID95042848
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name(3S)-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-/m1/s1
InChIKeyGTJWNIRJUWQOLY-CYBMUJFWSA-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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Related Compounds

3-(1-Methylpyrazol-4-yl)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155833877
(3R)-3-(1-methylpyrazol-4-yl)-8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decane
CID 95042849
(3R)-8-[(1,5-dimethylpyrazol-3-yl)methyl]-3-pyrimidin-5-yl-1-oxa-8-azaspiro[4.5]decane
CID 97394831
(3S)-8-[(1,5-dimethylpyrazol-3-yl)methyl]-3-pyrimidin-5-yl-1-oxa-8-azaspiro[4.5]decane
CID 97394832
(3S)-3-(1-methylpyrazol-4-yl)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decane
CID 97487184
(3R)-3-(1-methylpyrazol-4-yl)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decane
CID 97487187
8-[(1-Methylimidazol-2-yl)methyl]-3-(pyrimidin-5-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
CID 110138396
(3S)-8-[(1-methylimidazol-2-yl)methyl]-3-(pyrimidin-5-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
CID 124960043
(3R)-8-[(1-methylimidazol-2-yl)methyl]-3-(pyrimidin-5-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
CID 124960044
3-(1-Methylpyrazol-4-yl)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decane
CID 131643124
3-(1-Methylpyrazol-4-yl)-8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decane
CID 131656266
8-[(1,5-Dimethylpyrazol-3-yl)methyl]-3-pyrimidin-5-yl-1-oxa-8-azaspiro[4.5]decane
CID 131659634

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(1-methylpyrazol-4-yl)-8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3S)-3-(1-methylpyrazol-4-yl)-8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decane (CID 95042848) is (3S)-3-(1-methylpyrazol-4-yl)-8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3S)-3-(1-methylpyrazol-4-yl)-8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3S)-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 (3S)-3-(1-methylpyrazol-4-yl)-8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is GTJWNIRJUWQOLY-CYBMUJFWSA-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-/m1/s1.
What are the key properties of (3S)-3-(1-methylpyrazol-4-yl)-8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decane?
(3S)-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 (3S)-3-(1-methylpyrazol-4-yl)-8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 95042848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).