8-[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane

C25H33FN4O2 — CID 138707965

IUPAC8-[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane
SMILESFc1ccc(-n2cc(N3CCC4(CC3)CC(N3CCOCC3)CO4)c(C3CCC3)n2)cc1
InChIInChI=1S/C25H33FN4O2/c26-20-4-6-21(7-5-20)30-17-23(24(27-30)19-2-1-3-19)29-10-8-25(9-11-29)16-22(18-32-25)28-12-14-31-15-13-28/h4-7,17,19,22H,1-3,8-16,18H2
InChIKeyREGQILGBDAJNNQ-UHFFFAOYSA-N
MW440.56 g/mol
LogP3.74
Rot. Bonds4

About 8-[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane

8-[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane (PubChem CID 138707965) has the molecular formula C25H33FN4O2 and a molecular weight of 440.56 g/mol. Its IUPAC name is 8-[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane
PubChem CID138707965
Molecular FormulaC25H33FN4O2
Molecular Weight440.56 g/mol
Exact Mass440.26
IUPAC Name8-[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane
SMILESFc1ccc(-n2cc(N3CCC4(CC3)CC(N3CCOCC3)CO4)c(C3CCC3)n2)cc1
InChIInChI=1S/C25H33FN4O2/c26-20-4-6-21(7-5-20)30-17-23(24(27-30)19-2-1-3-19)29-10-8-25(9-11-29)16-22(18-32-25)28-12-14-31-15-13-28/h4-7,17,19,22H,1-3,8-16,18H2
InChIKeyREGQILGBDAJNNQ-UHFFFAOYSA-N
XLogP3.74
TPSA42.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.56
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-8-(5-fluoropyrimidin-2-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane
CID 97385579
(4-fluorophenyl)-(3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 131659617
4-[2-[1-(3-cyclobutyl-1-phenylpyrazol-4-yl)piperidin-4-yl]ethyl]morpholine
CID 174915811
8-(2,5-difluorophenyl)sulfanyl-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane
CID 170119558
3-cyclobutyl-1-(4-fluorophenyl)-4-[4-[4-(oxetan-3-yl)piperazin-1-yl]piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742859
8-(2,6-difluoro-4-methylphenyl)sulfanyl-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane
CID 170119547
1-(3-cyclobutyl-1-phenylpyrazol-4-yl)-4-(2-pyrrolidin-1-ylethyl)piperidine
CID 175321770
4-[3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]benzonitrile
CID 118744571
3-cyclobutyl-1-(3-fluorophenyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742047
8-(4-fluorophenyl)sulfonyl-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxa-8-azaspiro[4.5]decane
CID 169144154
3-cyclobutyl-1-(4-fluorophenyl)-4-(4-morpholin-4-ylpiperidin-1-yl)-N-(2,2,2-trifluoroethylsulfonyl)pyrazolo[5,4-b]pyridine-6-carboxamide
CID 126741493
1-(cyclopropylmethyl)-9-(4-fluorophenyl)-4-oxa-1,9-diazaspiro[5.5]undecane
CID 97396296

Frequently Asked Questions

What is the IUPAC name of 8-[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane (CID 138707965) is 8-[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane is Fc1ccc(-n2cc(N3CCC4(CC3)CC(N3CCOCC3)CO4)c(C3CCC3)n2)cc1.
What is the InChIKey of 8-[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is REGQILGBDAJNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN4O2/c26-20-4-6-21(7-5-20)30-17-23(24(27-30)19-2-1-3-19)29-10-8-25(9-11-29)16-22(18-32-25)28-12-14-31-15-13-28/h4-7,17,19,22H,1-3,8-16,18H2.
What are the key properties of 8-[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane?
8-[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 440.56 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-cyclobutyl-1-(4-fluorophenyl)pyrazol-4-yl]-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 138707965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).