1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]propan-1-one;methane

C20H25FN4O — CID 158907003

IUPAC1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]propan-1-one;methane
SMILESC.CCC(=O)N1CCC(n2cc(-c3c[nH]c4cc(F)ccc34)cn2)CC1
InChIInChI=1S/C19H21FN4O.CH4/c1-2-19(25)23-7-5-15(6-8-23)24-12-13(10-22-24)17-11-21-18-9-14(20)3-4-16(17)18;/h3-4,9-12,15,21H,2,5-8H2,1H3;1H4
InChIKeyJGDZACDUYHCIQI-UHFFFAOYSA-N
MW356.45 g/mol
LogP4.38
Rot. Bonds3

About 1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]propan-1-one;methane

1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]propan-1-one;methane (PubChem CID 158907003) has the molecular formula C20H25FN4O and a molecular weight of 356.45 g/mol. Its IUPAC name is 1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]propan-1-one;methane.

Molecular Properties

Compound Name1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]propan-1-one;methane
PubChem CID158907003
Molecular FormulaC20H25FN4O
Molecular Weight356.45 g/mol
Exact Mass356.20
IUPAC Name1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]propan-1-one;methane
SMILESC.CCC(=O)N1CCC(n2cc(-c3c[nH]c4cc(F)ccc34)cn2)CC1
InChIInChI=1S/C19H21FN4O.CH4/c1-2-19(25)23-7-5-15(6-8-23)24-12-13(10-22-24)17-11-21-18-9-14(20)3-4-16(17)18;/h3-4,9-12,15,21H,2,5-8H2,1H3;1H4
InChIKeyJGDZACDUYHCIQI-UHFFFAOYSA-N
XLogP4.38
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanone;methane
CID 158576212
6-fluoro-3-[1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrazol-4-yl]-1H-indole
CID 118060605
1-[4-[4-[7-amino-2-(6-fluoro-1H-indol-3-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 66760577
6-fluoro-3-[1-(1-methylsulfonylpiperidin-2-yl)pyrazol-4-yl]-1H-indole
CID 118060455
1-[4-[4-(6-fluoro-1H-indol-3-yl)-3-methylpyrazol-1-yl]piperidin-1-yl]ethanone
CID 118060130
3-(1-butylpyrazol-4-yl)-6-fluoro-1H-indole;methane
CID 161404196
6-fluoro-3-[1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]pyrazol-4-yl]-1H-indole;methane
CID 159037937
tert-butyl 4-[6-(6-fluoro-1H-indol-3-yl)indazol-1-yl]piperidine-1-carboxylate
CID 118395458
tert-butyl 4-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]piperidine-1-carboxylate
CID 118382763
2-amino-1-[4-[5-(6-fluoro-1H-indol-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 118292934
2-[4-[[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanol
CID 118060628
1-[4-[4-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]pyrazol-1-yl]piperidin-1-yl]-4-methylsulfonylbutan-1-one
CID 118065096

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]propan-1-one;methane?
The IUPAC name of 1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]propan-1-one;methane (CID 158907003) is 1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]propan-1-one;methane.
What is the SMILES notation for 1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]propan-1-one;methane?
The canonical SMILES for 1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]propan-1-one;methane is C.CCC(=O)N1CCC(n2cc(-c3c[nH]c4cc(F)ccc34)cn2)CC1.
What is the InChIKey of 1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]propan-1-one;methane?
The InChIKey is JGDZACDUYHCIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O.CH4/c1-2-19(25)23-7-5-15(6-8-23)24-12-13(10-22-24)17-11-21-18-9-14(20)3-4-16(17)18;/h3-4,9-12,15,21H,2,5-8H2,1H3;1H4.
What are the key properties of 1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]propan-1-one;methane?
1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]propan-1-one;methane has a molecular weight of 356.45 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]propan-1-one;methane is sourced from PubChem (CID 158907003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).