[1-[2-[1-(4-fluoro-2,3-dimethylphenyl)piperidin-4-yl]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[(3S)-3-fluoro-4-hydroxypiperidin-1-yl]methanone

C27H36F2N4O2 — CID 146552810

IUPAC[1-[2-[1-(4-fluoro-2,3-dimethylphenyl)piperidin-4-yl]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[(3S)-3-fluoro-4-hydroxypiperidin-1-yl]methanone
SMILESCc1c(F)ccc(N2CCC(CCn3nc(C(=O)N4CCC(O)[C@@H](F)C4)c4c3CCC4)CC2)c1C
InChIInChI=1S/C27H36F2N4O2/c1-17-18(2)23(7-6-21(17)28)31-12-8-19(9-13-31)10-15-33-24-5-3-4-20(24)26(30-33)27(35)32-14-11-25(34)22(29)16-32/h6-7,19,22,25,34H,3-5,8-16H2,1-2H3/t22-,25?/m0/s1
InChIKeyQBQXAKMCKDKZBD-XADRRFQNSA-N
MW486.61 g/mol
LogP3.98
Rot. Bonds5

About [1-[2-[1-(4-fluoro-2,3-dimethylphenyl)piperidin-4-yl]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[(3S)-3-fluoro-4-hydroxypiperidin-1-yl]methanone

[1-[2-[1-(4-fluoro-2,3-dimethylphenyl)piperidin-4-yl]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[(3S)-3-fluoro-4-hydroxypiperidin-1-yl]methanone (PubChem CID 146552810) has the molecular formula C27H36F2N4O2 and a molecular weight of 486.61 g/mol. Its IUPAC name is [1-[2-[1-(4-fluoro-2,3-dimethylphenyl)piperidin-4-yl]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[(3S)-3-fluoro-4-hydroxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-[2-[1-(4-fluoro-2,3-dimethylphenyl)piperidin-4-yl]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[(3S)-3-fluoro-4-hydroxypiperidin-1-yl]methanone
PubChem CID146552810
Molecular FormulaC27H36F2N4O2
Molecular Weight486.61 g/mol
Exact Mass486.28
IUPAC Name[1-[2-[1-(4-fluoro-2,3-dimethylphenyl)piperidin-4-yl]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[(3S)-3-fluoro-4-hydroxypiperidin-1-yl]methanone
SMILESCc1c(F)ccc(N2CCC(CCn3nc(C(=O)N4CCC(O)[C@@H](F)C4)c4c3CCC4)CC2)c1C
InChIInChI=1S/C27H36F2N4O2/c1-17-18(2)23(7-6-21(17)28)31-12-8-19(9-13-31)10-15-33-24-5-3-4-20(24)26(30-33)27(35)32-14-11-25(34)22(29)16-32/h6-7,19,22,25,34H,3-5,8-16H2,1-2H3/t22-,25?/m0/s1
InChIKeyQBQXAKMCKDKZBD-XADRRFQNSA-N
XLogP3.98
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.61
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[2-[1-(4-fluoro-2,3-dimethylphenyl)piperidin-4-yl]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[(3S)-3-fluoro-4-hydroxypiperidin-1-yl]methanone with MolForge

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Related Compounds

[1-[2-[1-(3-chloro-2-methylphenyl)piperidin-4-yl]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(3-fluoro-4-hydroxypiperidin-1-yl)methanone
CID 146485333
2-[3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-[4-(4-fluoro-2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 166572886
1-[4-(2,3-dimethylphenyl)piperidin-1-yl]-2-[3-[(3R,4R)-3-fluoro-4-hydroxypiperidine-1-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone
CID 150823269
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[3-[(3R,4S)-4-hydroxy-3-methylpiperidine-1-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone
CID 166573117
1-[4-(3,4-difluoro-2-methylphenyl)piperazin-1-yl]-2-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone
CID 166572804
2-[5-(difluoromethyl)-3-[(3R,4S)-3-fluoro-4-hydroxypiperidine-1-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 166572887
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[3-(4-hydroxyazepane-1-carbonyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone
CID 166573046
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 119486710
2-[3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-[4-(4-methoxy-2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 166572909
1-[7-(2,3-dimethylphenyl)-4,7-diazaspiro[2.5]octan-4-yl]-2-[(2R,4R)-9-[(3S,4S)-3-fluoro-4-hydroxypiperidine-1-carbonyl]-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]ethanone
CID 166572798
1-[4-(3,4-difluoro-2-methylphenyl)piperidin-1-yl]-2-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone
CID 150988403
1-[4-(2,3-dimethylphenyl)piperidin-1-yl]-2-[3-[(3R,4R)-4-hydroxy-3-methylpiperidine-1-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone
CID 150057730

Frequently Asked Questions

What is the IUPAC name of [1-[2-[1-(4-fluoro-2,3-dimethylphenyl)piperidin-4-yl]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[(3S)-3-fluoro-4-hydroxypiperidin-1-yl]methanone?
The IUPAC name of [1-[2-[1-(4-fluoro-2,3-dimethylphenyl)piperidin-4-yl]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[(3S)-3-fluoro-4-hydroxypiperidin-1-yl]methanone (CID 146552810) is [1-[2-[1-(4-fluoro-2,3-dimethylphenyl)piperidin-4-yl]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[(3S)-3-fluoro-4-hydroxypiperidin-1-yl]methanone.
What is the SMILES notation for [1-[2-[1-(4-fluoro-2,3-dimethylphenyl)piperidin-4-yl]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[(3S)-3-fluoro-4-hydroxypiperidin-1-yl]methanone?
The canonical SMILES for [1-[2-[1-(4-fluoro-2,3-dimethylphenyl)piperidin-4-yl]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[(3S)-3-fluoro-4-hydroxypiperidin-1-yl]methanone is Cc1c(F)ccc(N2CCC(CCn3nc(C(=O)N4CCC(O)[C@@H](F)C4)c4c3CCC4)CC2)c1C.
What is the InChIKey of [1-[2-[1-(4-fluoro-2,3-dimethylphenyl)piperidin-4-yl]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[(3S)-3-fluoro-4-hydroxypiperidin-1-yl]methanone?
The InChIKey is QBQXAKMCKDKZBD-XADRRFQNSA-N. The full InChI is InChI=1S/C27H36F2N4O2/c1-17-18(2)23(7-6-21(17)28)31-12-8-19(9-13-31)10-15-33-24-5-3-4-20(24)26(30-33)27(35)32-14-11-25(34)22(29)16-32/h6-7,19,22,25,34H,3-5,8-16H2,1-2H3/t22-,25?/m0/s1.
What are the key properties of [1-[2-[1-(4-fluoro-2,3-dimethylphenyl)piperidin-4-yl]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[(3S)-3-fluoro-4-hydroxypiperidin-1-yl]methanone?
[1-[2-[1-(4-fluoro-2,3-dimethylphenyl)piperidin-4-yl]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[(3S)-3-fluoro-4-hydroxypiperidin-1-yl]methanone has a molecular weight of 486.61 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[1-(4-fluoro-2,3-dimethylphenyl)piperidin-4-yl]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[(3S)-3-fluoro-4-hydroxypiperidin-1-yl]methanone is sourced from PubChem (CID 146552810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).