(3-propan-2-yl-1-oxa-9-azaspiro[4.5]decan-9-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone

C18H24N4O2 — CID 134071255

IUPAC(3-propan-2-yl-1-oxa-9-azaspiro[4.5]decan-9-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
SMILESCC(C)C1COC2(CCCN(C(=O)c3cnn4cccnc34)C2)C1
InChIInChI=1S/C18H24N4O2/c1-13(2)14-9-18(24-11-14)5-3-7-21(12-18)17(23)15-10-20-22-8-4-6-19-16(15)22/h4,6,8,10,13-14H,3,5,7,9,11-12H2,1-2H3
InChIKeySLOWNVRUAUZQKK-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.40
Rot. Bonds2

About (3-propan-2-yl-1-oxa-9-azaspiro[4.5]decan-9-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone

(3-propan-2-yl-1-oxa-9-azaspiro[4.5]decan-9-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone (PubChem CID 134071255) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (3-propan-2-yl-1-oxa-9-azaspiro[4.5]decan-9-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone.

Molecular Properties

Compound Name(3-propan-2-yl-1-oxa-9-azaspiro[4.5]decan-9-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
PubChem CID134071255
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(3-propan-2-yl-1-oxa-9-azaspiro[4.5]decan-9-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
SMILESCC(C)C1COC2(CCCN(C(=O)c3cnn4cccnc34)C2)C1
InChIInChI=1S/C18H24N4O2/c1-13(2)14-9-18(24-11-14)5-3-7-21(12-18)17(23)15-10-20-22-8-4-6-19-16(15)22/h4,6,8,10,13-14H,3,5,7,9,11-12H2,1-2H3
InChIKeySLOWNVRUAUZQKK-UHFFFAOYSA-N
XLogP2.40
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-({6-[(Diethylamino)methyl]pyrazolo[1,5-a]pyrimidin-3-yl}carbonyl)piperidin-3-yl]propan-1-ol
CID 56752036
N-ethyl-N-[(3-{[3-(methoxymethyl)piperidin-1-yl]carbonyl}pyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine
CID 56752913
[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-methoxypiperidin-1-yl]methanone
CID 95212994
(5S,7R)-10-fluoro-16,16-dimethyl-14-oxa-2,12,18,22,23,26-hexazahexacyclo[18.5.2.02,7.05,7.08,13.023,27]heptacosa-1(26),10,12,20(27),21,24-hexaen-19-one
CID 156353861
(5S,7R)-10,16,16-trifluoro-14-oxa-2,12,18,22,23,26-hexazahexacyclo[18.5.2.02,7.05,7.08,13.023,27]heptacosa-1(26),10,12,20(27),21,24-hexaen-19-one
CID 156353866
(5S,7R)-10-fluoro-14-oxa-2,12,18,22,23,26-hexazahexacyclo[18.5.2.02,7.05,7.08,13.023,27]heptacosa-1(26),10,12,20(27),21,24-hexaen-19-one
CID 156353871
(5S,7R)-20-amino-10-fluoro-8-methylspiro[14-oxa-2,12,17,21,22,25-hexazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),10,12,19(26),20,23-hexaene-16,1'-cyclopropane]-18-one
CID 156353889
(5S,7R)-10,16-difluoro-14-oxa-2,12,18,22,23,26-hexazahexacyclo[18.5.2.02,7.05,7.08,13.023,27]heptacosa-1(26),10,12,20(27),21,24-hexaen-19-one
CID 156353933
(9S,11aR)-9-cyclohexyl-4-(3-fluoropyrazolo[1,5-a]pyrimidin-7-yl)-2,3,5,6,9,10,11,11a-octahydropyrrolo[2,1-b][1,3,7]oxadiazonin-7-one
CID 168244869
[3-(Morpholin-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone;2,2,2-trifluoroacetic acid
CID 155851758
[3-[[2-Methoxyethyl(methyl)amino]methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone;2,2,2-trifluoroacetic acid
CID 155857254
N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110117846

Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yl-1-oxa-9-azaspiro[4.5]decan-9-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
The IUPAC name of (3-propan-2-yl-1-oxa-9-azaspiro[4.5]decan-9-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone (CID 134071255) is (3-propan-2-yl-1-oxa-9-azaspiro[4.5]decan-9-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone.
What is the SMILES notation for (3-propan-2-yl-1-oxa-9-azaspiro[4.5]decan-9-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
The canonical SMILES for (3-propan-2-yl-1-oxa-9-azaspiro[4.5]decan-9-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone is CC(C)C1COC2(CCCN(C(=O)c3cnn4cccnc34)C2)C1.
What is the InChIKey of (3-propan-2-yl-1-oxa-9-azaspiro[4.5]decan-9-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
The InChIKey is SLOWNVRUAUZQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13(2)14-9-18(24-11-14)5-3-7-21(12-18)17(23)15-10-20-22-8-4-6-19-16(15)22/h4,6,8,10,13-14H,3,5,7,9,11-12H2,1-2H3.
What are the key properties of (3-propan-2-yl-1-oxa-9-azaspiro[4.5]decan-9-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
(3-propan-2-yl-1-oxa-9-azaspiro[4.5]decan-9-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone has a molecular weight of 328.42 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yl-1-oxa-9-azaspiro[4.5]decan-9-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone is sourced from PubChem (CID 134071255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).