(5-methyl-1H-pyrazol-3-yl)-[(3S,5R)-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone

C17H21N5O3 — CID 97489041

IUPAC(5-methyl-1H-pyrazol-3-yl)-[(3S,5R)-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
SMILESCc1cc(C(=O)N2CCC[C@@]3(C[C@H](Oc4ncccn4)CO3)C2)n[nH]1
InChIInChI=1S/C17H21N5O3/c1-12-8-14(21-20-12)15(23)22-7-2-4-17(11-22)9-13(10-24-17)25-16-18-5-3-6-19-16/h3,5-6,8,13H,2,4,7,9-11H2,1H3,(H,20,21)/t13-,17+/m0/s1
InChIKeyXEFIPDCJXRFMAN-SUMWQHHRSA-N
MW343.39 g/mol
LogP1.35
Rot. Bonds3

About (5-methyl-1H-pyrazol-3-yl)-[(3S,5R)-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone

(5-methyl-1H-pyrazol-3-yl)-[(3S,5R)-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone (PubChem CID 97489041) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is (5-methyl-1H-pyrazol-3-yl)-[(3S,5R)-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1H-pyrazol-3-yl)-[(3S,5R)-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
PubChem CID97489041
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name(5-methyl-1H-pyrazol-3-yl)-[(3S,5R)-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
SMILESCc1cc(C(=O)N2CCC[C@@]3(C[C@H](Oc4ncccn4)CO3)C2)n[nH]1
InChIInChI=1S/C17H21N5O3/c1-12-8-14(21-20-12)15(23)22-7-2-4-17(11-22)9-13(10-24-17)25-16-18-5-3-6-19-16/h3,5-6,8,13H,2,4,7,9-11H2,1H3,(H,20,21)/t13-,17+/m0/s1
InChIKeyXEFIPDCJXRFMAN-SUMWQHHRSA-N
XLogP1.35
TPSA93.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5-methyl-1H-pyrazol-3-yl)-[(3S,5R)-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone with MolForge

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Related Compounds

1,2-oxazol-5-yl-[(3R,5R)-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97395407
1,3-oxazol-4-yl-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97484872
pyridin-2-yl-[(3S,5R)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97371619
pyrazin-2-yl-[(3R,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97419587
(4-methyl-1,3-oxazol-5-yl)-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97419782
[(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-6-ylmethanone
CID 97419649
[(3R,5R)-3-(3-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(6-methyl-2-pyridinyl)methanone
CID 110141985
[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrimidin-4-ylmethanone
CID 97419632
(3S,5S)-7-methylsulfonyl-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 124521699
(5-methyl-1H-pyrazol-3-yl)-[(6S)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 97494780
[(3S,5R)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(4-methyl-2-pyridinyl)methanone
CID 124792191
(3R,5R)-9-cyclopropylsulfonyl-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane
CID 97489058

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-pyrazol-3-yl)-[(3S,5R)-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The IUPAC name of (5-methyl-1H-pyrazol-3-yl)-[(3S,5R)-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone (CID 97489041) is (5-methyl-1H-pyrazol-3-yl)-[(3S,5R)-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone.
What is the SMILES notation for (5-methyl-1H-pyrazol-3-yl)-[(3S,5R)-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The canonical SMILES for (5-methyl-1H-pyrazol-3-yl)-[(3S,5R)-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone is Cc1cc(C(=O)N2CCC[C@@]3(C[C@H](Oc4ncccn4)CO3)C2)n[nH]1.
What is the InChIKey of (5-methyl-1H-pyrazol-3-yl)-[(3S,5R)-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The InChIKey is XEFIPDCJXRFMAN-SUMWQHHRSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-12-8-14(21-20-12)15(23)22-7-2-4-17(11-22)9-13(10-24-17)25-16-18-5-3-6-19-16/h3,5-6,8,13H,2,4,7,9-11H2,1H3,(H,20,21)/t13-,17+/m0/s1.
What are the key properties of (5-methyl-1H-pyrazol-3-yl)-[(3S,5R)-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
(5-methyl-1H-pyrazol-3-yl)-[(3S,5R)-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone has a molecular weight of 343.39 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-pyrazol-3-yl)-[(3S,5R)-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone is sourced from PubChem (CID 97489041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).