[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone

C23H21FN4O — CID 24599169

IUPAC[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
SMILESO=C(c1cn[nH]c1-c1ccc(F)cc1)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C23H21FN4O/c24-17-7-5-16(6-8-17)22-20(14-26-27-22)23(29)28-11-9-15(10-12-28)19-13-25-21-4-2-1-3-18(19)21/h1-8,13-15,25H,9-12H2,(H,26,27)
InChIKeyBPHTYIDDRACION-UHFFFAOYSA-N
MW388.45 g/mol
LogP4.72
Rot. Bonds3

About [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone

[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone (PubChem CID 24599169) has the molecular formula C23H21FN4O and a molecular weight of 388.45 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
PubChem CID24599169
Molecular FormulaC23H21FN4O
Molecular Weight388.45 g/mol
Exact Mass388.17
IUPAC Name[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
SMILESO=C(c1cn[nH]c1-c1ccc(F)cc1)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C23H21FN4O/c24-17-7-5-16(6-8-17)22-20(14-26-27-22)23(29)28-11-9-15(10-12-28)19-13-25-21-4-2-1-3-18(19)21/h1-8,13-15,25H,9-12H2,(H,26,27)
InChIKeyBPHTYIDDRACION-UHFFFAOYSA-N
XLogP4.72
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 84559294
(4-aminopiperidin-1-yl)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone;hydrochloride
CID 119376653
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 84559095
2-(4-fluorophenyl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone
CID 84559815
2-(1H-indol-3-yl)-1-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]ethanone
CID 55932242
[4-(1H-indol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 122190657
1-(2,4-difluorophenyl)-3-[2-[4-(1H-indol-3-yl)piperidine-1-carbonyl]phenyl]urea
CID 5051958
[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methylphenyl)methanone
CID 70686769
(4-bromophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 84558962
(3,4-dichlorophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 84558891
3-[1-[[5-(4-bromophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-1H-indole
CID 167794436
[2-(difluoromethoxy)-3-methoxyphenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 55510978

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone (CID 24599169) is [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone is O=C(c1cn[nH]c1-c1ccc(F)cc1)N1CCC(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone?
The InChIKey is BPHTYIDDRACION-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O/c24-17-7-5-16(6-8-17)22-20(14-26-27-22)23(29)28-11-9-15(10-12-28)19-13-25-21-4-2-1-3-18(19)21/h1-8,13-15,25H,9-12H2,(H,26,27).
What are the key properties of [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone?
[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone has a molecular weight of 388.45 g/mol, XLogP of 4.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 24599169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).