(2-fluoro-6-methylphenyl)-[6-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-azaspiro[3.3]heptan-2-yl]methanone

C25H26FN3O — CID 168971957

IUPAC(2-fluoro-6-methylphenyl)-[6-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-azaspiro[3.3]heptan-2-yl]methanone
SMILESCc1cc(C2CC3(C2)CN(C(=O)c2c(C)cccc2F)C3)n(-c2ccccc2C)n1
InChIInChI=1S/C25H26FN3O/c1-16-7-4-5-10-21(16)29-22(11-18(3)27-29)19-12-25(13-19)14-28(15-25)24(30)23-17(2)8-6-9-20(23)26/h4-11,19H,12-15H2,1-3H3
InChIKeyJMSRNVDGBYPOFY-UHFFFAOYSA-N
MW403.50 g/mol
LogP4.96
Rot. Bonds3

About (2-fluoro-6-methylphenyl)-[6-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-azaspiro[3.3]heptan-2-yl]methanone

(2-fluoro-6-methylphenyl)-[6-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-azaspiro[3.3]heptan-2-yl]methanone (PubChem CID 168971957) has the molecular formula C25H26FN3O and a molecular weight of 403.50 g/mol. Its IUPAC name is (2-fluoro-6-methylphenyl)-[6-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-azaspiro[3.3]heptan-2-yl]methanone.

Molecular Properties

Compound Name(2-fluoro-6-methylphenyl)-[6-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-azaspiro[3.3]heptan-2-yl]methanone
PubChem CID168971957
Molecular FormulaC25H26FN3O
Molecular Weight403.50 g/mol
Exact Mass403.21
IUPAC Name(2-fluoro-6-methylphenyl)-[6-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-azaspiro[3.3]heptan-2-yl]methanone
SMILESCc1cc(C2CC3(C2)CN(C(=O)c2c(C)cccc2F)C3)n(-c2ccccc2C)n1
InChIInChI=1S/C25H26FN3O/c1-16-7-4-5-10-21(16)29-22(11-18(3)27-29)19-12-25(13-19)14-28(15-25)24(30)23-17(2)8-6-9-20(23)26/h4-11,19H,12-15H2,1-3H3
InChIKeyJMSRNVDGBYPOFY-UHFFFAOYSA-N
XLogP4.96
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-hydroxyphenyl)-[6-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-azaspiro[3.3]heptan-2-yl]methanone
CID 168971907
[6-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-azaspiro[3.3]heptan-2-yl]-(1,3-thiazol-2-yl)methanone
CID 168971924
(2-fluoro-5-hydroxyphenyl)-[6-[5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-azaspiro[3.3]heptan-2-yl]methanone
CID 168971737
(2-fluoro-6-methylphenyl)-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)methanone
CID 131684380
(2,4-difluoro-5-phenylmethoxyphenyl)-[4-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]piperidin-1-yl]methanone
CID 168971880
(2,6-difluorophenyl)-[2-(2-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone
CID 90501948
(2-fluoro-6-methylphenyl)-(1-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone
CID 155879689
(2-fluoro-6-methylphenyl)-[(3R)-3-(methylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 176706267
2-bromo-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]acetamide
CID 63679280
2-[[2-(3-fluoro-2-methylphenyl)-5-methylpyrazol-3-yl]amino]-3-methylbenzoic acid
CID 67171523
(2,6-difluorophenyl)-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 898638
[(3S)-4-(2,6-difluorobenzoyl)-3-methyl-2,3-dihydroquinoxalin-1-yl]-(2,6-difluorophenyl)methanone
CID 95785410

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-6-methylphenyl)-[6-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-azaspiro[3.3]heptan-2-yl]methanone?
The IUPAC name of (2-fluoro-6-methylphenyl)-[6-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-azaspiro[3.3]heptan-2-yl]methanone (CID 168971957) is (2-fluoro-6-methylphenyl)-[6-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-azaspiro[3.3]heptan-2-yl]methanone.
What is the SMILES notation for (2-fluoro-6-methylphenyl)-[6-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-azaspiro[3.3]heptan-2-yl]methanone?
The canonical SMILES for (2-fluoro-6-methylphenyl)-[6-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-azaspiro[3.3]heptan-2-yl]methanone is Cc1cc(C2CC3(C2)CN(C(=O)c2c(C)cccc2F)C3)n(-c2ccccc2C)n1.
What is the InChIKey of (2-fluoro-6-methylphenyl)-[6-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-azaspiro[3.3]heptan-2-yl]methanone?
The InChIKey is JMSRNVDGBYPOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O/c1-16-7-4-5-10-21(16)29-22(11-18(3)27-29)19-12-25(13-19)14-28(15-25)24(30)23-17(2)8-6-9-20(23)26/h4-11,19H,12-15H2,1-3H3.
What are the key properties of (2-fluoro-6-methylphenyl)-[6-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-azaspiro[3.3]heptan-2-yl]methanone?
(2-fluoro-6-methylphenyl)-[6-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-azaspiro[3.3]heptan-2-yl]methanone has a molecular weight of 403.50 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-6-methylphenyl)-[6-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-azaspiro[3.3]heptan-2-yl]methanone is sourced from PubChem (CID 168971957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).