[4-(5-fluoro-2-methylphenyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone

C19H23FN4O — CID 144955092

IUPAC[4-(5-fluoro-2-methylphenyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone
SMILESCc1ccc(F)cc1C1CCN(C(=O)c2n[nH]c3c2CCNC3)CC1
InChIInChI=1S/C19H23FN4O/c1-12-2-3-14(20)10-16(12)13-5-8-24(9-6-13)19(25)18-15-4-7-21-11-17(15)22-23-18/h2-3,10,13,21H,4-9,11H2,1H3,(H,22,23)
InChIKeyVVOPGYKFKSCYIY-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.52
Rot. Bonds2

About [4-(5-fluoro-2-methylphenyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone

[4-(5-fluoro-2-methylphenyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone (PubChem CID 144955092) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is [4-(5-fluoro-2-methylphenyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[4-(5-fluoro-2-methylphenyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone
PubChem CID144955092
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name[4-(5-fluoro-2-methylphenyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone
SMILESCc1ccc(F)cc1C1CCN(C(=O)c2n[nH]c3c2CCNC3)CC1
InChIInChI=1S/C19H23FN4O/c1-12-2-3-14(20)10-16(12)13-5-8-24(9-6-13)19(25)18-15-4-7-21-11-17(15)22-23-18/h2-3,10,13,21H,4-9,11H2,1H3,(H,22,23)
InChIKeyVVOPGYKFKSCYIY-UHFFFAOYSA-N
XLogP2.52
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(5-fluoro-2-methylphenyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone?
The IUPAC name of [4-(5-fluoro-2-methylphenyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone (CID 144955092) is [4-(5-fluoro-2-methylphenyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone.
What is the SMILES notation for [4-(5-fluoro-2-methylphenyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone?
The canonical SMILES for [4-(5-fluoro-2-methylphenyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone is Cc1ccc(F)cc1C1CCN(C(=O)c2n[nH]c3c2CCNC3)CC1.
What is the InChIKey of [4-(5-fluoro-2-methylphenyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone?
The InChIKey is VVOPGYKFKSCYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-12-2-3-14(20)10-16(12)13-5-8-24(9-6-13)19(25)18-15-4-7-21-11-17(15)22-23-18/h2-3,10,13,21H,4-9,11H2,1H3,(H,22,23).
What are the key properties of [4-(5-fluoro-2-methylphenyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone?
[4-(5-fluoro-2-methylphenyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone has a molecular weight of 342.42 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-fluoro-2-methylphenyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone is sourced from PubChem (CID 144955092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).