(2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-(4-fluoro-2-methylphenyl)methanone

C20H24FN3O3 — CID 146115083

IUPAC(2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-(4-fluoro-2-methylphenyl)methanone
SMILESCCn1cc2c(n1)C(O)CC1(CCN(C(=O)c3ccc(F)cc3C)CC1)O2
InChIInChI=1S/C20H24FN3O3/c1-3-24-12-17-18(22-24)16(25)11-20(27-17)6-8-23(9-7-20)19(26)15-5-4-14(21)10-13(15)2/h4-5,10,12,16,25H,3,6-9,11H2,1-2H3
InChIKeyHXJFXKKPMIOPAZ-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.84
Rot. Bonds2

About (2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-(4-fluoro-2-methylphenyl)methanone

(2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-(4-fluoro-2-methylphenyl)methanone (PubChem CID 146115083) has the molecular formula C20H24FN3O3 and a molecular weight of 373.43 g/mol. Its IUPAC name is (2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-(4-fluoro-2-methylphenyl)methanone.

Molecular Properties

Compound Name(2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-(4-fluoro-2-methylphenyl)methanone
PubChem CID146115083
Molecular FormulaC20H24FN3O3
Molecular Weight373.43 g/mol
Exact Mass373.18
IUPAC Name(2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-(4-fluoro-2-methylphenyl)methanone
SMILESCCn1cc2c(n1)C(O)CC1(CCN(C(=O)c3ccc(F)cc3C)CC1)O2
InChIInChI=1S/C20H24FN3O3/c1-3-24-12-17-18(22-24)16(25)11-20(27-17)6-8-23(9-7-20)19(26)15-5-4-14(21)10-13(15)2/h4-5,10,12,16,25H,3,6-9,11H2,1-2H3
InChIKeyHXJFXKKPMIOPAZ-UHFFFAOYSA-N
XLogP2.84
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-(2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-carbonyl)-3H-1,3-benzoxazol-2-one
CID 167798589
1-bicyclo[2.2.1]heptanyl-(2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)methanone
CID 146115080
(2R)-6-(4-fluoro-2-methylbenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 129469820
1-(2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-2-(2H-indazol-3-yl)ethanone
CID 167777329
(3,3-diethylpyrrolidin-1-yl)-(4-fluoro-2-methylphenyl)methanone
CID 112702471
azetidin-1-yl-(4-fluoro-2-methylphenyl)methanone
CID 130163592
(4-fluoro-2-methylphenyl)-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97418059
(8-fluoroquinolin-6-yl)-(7-hydroxy-2-methylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)methanone
CID 146115030
(4-fluoro-2-methylphenyl)-(1,3-oxazolidin-3-yl)methanone
CID 130766014
[(3S,4R)-3,4-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(5-fluoro-2-methylphenyl)methanone
CID 163316302
1-[4-(4-fluoro-2-methylbenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 115745793
azepan-1-yl-(4-fluoro-2-methylphenyl)methanone
CID 112702240

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-(4-fluoro-2-methylphenyl)methanone?
The IUPAC name of (2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-(4-fluoro-2-methylphenyl)methanone (CID 146115083) is (2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-(4-fluoro-2-methylphenyl)methanone.
What is the SMILES notation for (2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-(4-fluoro-2-methylphenyl)methanone?
The canonical SMILES for (2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-(4-fluoro-2-methylphenyl)methanone is CCn1cc2c(n1)C(O)CC1(CCN(C(=O)c3ccc(F)cc3C)CC1)O2.
What is the InChIKey of (2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-(4-fluoro-2-methylphenyl)methanone?
The InChIKey is HXJFXKKPMIOPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3/c1-3-24-12-17-18(22-24)16(25)11-20(27-17)6-8-23(9-7-20)19(26)15-5-4-14(21)10-13(15)2/h4-5,10,12,16,25H,3,6-9,11H2,1-2H3.
What are the key properties of (2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-(4-fluoro-2-methylphenyl)methanone?
(2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-(4-fluoro-2-methylphenyl)methanone has a molecular weight of 373.43 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-(4-fluoro-2-methylphenyl)methanone is sourced from PubChem (CID 146115083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).