[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-(1-piperidin-4-yl-1,3-dihydroisoindol-2-yl)methanone

C23H23FN4O — CID 175941057

IUPAC[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-(1-piperidin-4-yl-1,3-dihydroisoindol-2-yl)methanone
SMILESO=C(c1ccc(-c2cn[nH]c2)cc1F)N1Cc2ccccc2C1C1CCNCC1
InChIInChI=1S/C23H23FN4O/c24-21-11-16(18-12-26-27-13-18)5-6-20(21)23(29)28-14-17-3-1-2-4-19(17)22(28)15-7-9-25-10-8-15/h1-6,11-13,15,22,25H,7-10,14H2,(H,26,27)
InChIKeyXOKOJSPESAEGQA-UHFFFAOYSA-N
MW390.46 g/mol
LogP3.91
Rot. Bonds3

About [2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-(1-piperidin-4-yl-1,3-dihydroisoindol-2-yl)methanone

[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-(1-piperidin-4-yl-1,3-dihydroisoindol-2-yl)methanone (PubChem CID 175941057) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is [2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-(1-piperidin-4-yl-1,3-dihydroisoindol-2-yl)methanone.

Molecular Properties

Compound Name[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-(1-piperidin-4-yl-1,3-dihydroisoindol-2-yl)methanone
PubChem CID175941057
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC Name[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-(1-piperidin-4-yl-1,3-dihydroisoindol-2-yl)methanone
SMILESO=C(c1ccc(-c2cn[nH]c2)cc1F)N1Cc2ccccc2C1C1CCNCC1
InChIInChI=1S/C23H23FN4O/c24-21-11-16(18-12-26-27-13-18)5-6-20(21)23(29)28-14-17-3-1-2-4-19(17)22(28)15-7-9-25-10-8-15/h1-6,11-13,15,22,25H,7-10,14H2,(H,26,27)
InChIKeyXOKOJSPESAEGQA-UHFFFAOYSA-N
XLogP3.91
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-(1-piperidin-4-yl-1,3-dihydroisoindol-2-yl)methanone?
The IUPAC name of [2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-(1-piperidin-4-yl-1,3-dihydroisoindol-2-yl)methanone (CID 175941057) is [2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-(1-piperidin-4-yl-1,3-dihydroisoindol-2-yl)methanone.
What is the SMILES notation for [2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-(1-piperidin-4-yl-1,3-dihydroisoindol-2-yl)methanone?
The canonical SMILES for [2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-(1-piperidin-4-yl-1,3-dihydroisoindol-2-yl)methanone is O=C(c1ccc(-c2cn[nH]c2)cc1F)N1Cc2ccccc2C1C1CCNCC1.
What is the InChIKey of [2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-(1-piperidin-4-yl-1,3-dihydroisoindol-2-yl)methanone?
The InChIKey is XOKOJSPESAEGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O/c24-21-11-16(18-12-26-27-13-18)5-6-20(21)23(29)28-14-17-3-1-2-4-19(17)22(28)15-7-9-25-10-8-15/h1-6,11-13,15,22,25H,7-10,14H2,(H,26,27).
What are the key properties of [2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-(1-piperidin-4-yl-1,3-dihydroisoindol-2-yl)methanone?
[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-(1-piperidin-4-yl-1,3-dihydroisoindol-2-yl)methanone has a molecular weight of 390.46 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-(1-piperidin-4-yl-1,3-dihydroisoindol-2-yl)methanone is sourced from PubChem (CID 175941057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).