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

C19H23FN4O — CID 165422421

IUPAC[2-(3-fluorophenyl)azepan-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone
SMILESO=C(c1n[nH]c2c1CCNC2)N1CCCCCC1c1cccc(F)c1
InChIInChI=1S/C19H23FN4O/c20-14-6-4-5-13(11-14)17-7-2-1-3-10-24(17)19(25)18-15-8-9-21-12-16(15)22-23-18/h4-6,11,17,21H,1-3,7-10,12H2,(H,22,23)
InChIKeyOOGKONZASSQUIN-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.95
Rot. Bonds2

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

[2-(3-fluorophenyl)azepan-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone (PubChem CID 165422421) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is [2-(3-fluorophenyl)azepan-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[2-(3-fluorophenyl)azepan-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone
PubChem CID165422421
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name[2-(3-fluorophenyl)azepan-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone
SMILESO=C(c1n[nH]c2c1CCNC2)N1CCCCCC1c1cccc(F)c1
InChIInChI=1S/C19H23FN4O/c20-14-6-4-5-13(11-14)17-7-2-1-3-10-24(17)19(25)18-15-8-9-21-12-16(15)22-23-18/h4-6,11,17,21H,1-3,7-10,12H2,(H,22,23)
InChIKeyOOGKONZASSQUIN-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-fluorophenyl)azepan-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 70733375
[(2R)-2-(3-fluorophenyl)piperidin-1-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
CID 96572952
[(2R)-2-(3-fluorophenyl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
CID 124751149
(2-pyridin-4-ylazepan-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 102554294
6-[2-(3-fluorophenyl)azepane-1-carbonyl]-1H-pyridin-2-one
CID 91791269
[2-(3-chlorophenyl)piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 120802842
[(2S)-2-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 92617710
2-(3-fluorophenyl)piperidine-1-carboxamide
CID 141445896
[2-(3-fluorophenyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 70739283
[2-(3-fluorophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119721878
[2-(3-chlorophenyl)piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone;hydrochloride
CID 120802841
[2-(3-fluorophenyl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone
CID 70761274

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)azepan-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone?
The IUPAC name of [2-(3-fluorophenyl)azepan-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone (CID 165422421) is [2-(3-fluorophenyl)azepan-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone.
What is the SMILES notation for [2-(3-fluorophenyl)azepan-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone?
The canonical SMILES for [2-(3-fluorophenyl)azepan-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone is O=C(c1n[nH]c2c1CCNC2)N1CCCCCC1c1cccc(F)c1.
What is the InChIKey of [2-(3-fluorophenyl)azepan-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone?
The InChIKey is OOGKONZASSQUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c20-14-6-4-5-13(11-14)17-7-2-1-3-10-24(17)19(25)18-15-8-9-21-12-16(15)22-23-18/h4-6,11,17,21H,1-3,7-10,12H2,(H,22,23).
What are the key properties of [2-(3-fluorophenyl)azepan-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone?
[2-(3-fluorophenyl)azepan-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 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)azepan-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone is sourced from PubChem (CID 165422421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).