6-fluoro-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-1H-indole

C17H18FN3O — CID 118060550

IUPAC6-fluoro-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-1H-indole
SMILESFc1ccc2c(-c3cnn(CC4CCOCC4)c3)c[nH]c2c1
InChIInChI=1S/C17H18FN3O/c18-14-1-2-15-16(9-19-17(15)7-14)13-8-20-21(11-13)10-12-3-5-22-6-4-12/h1-2,7-9,11-12,19H,3-6,10H2
InChIKeyMMNYEOGFFPSIHZ-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.60
Rot. Bonds3

About 6-fluoro-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-1H-indole

6-fluoro-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-1H-indole (PubChem CID 118060550) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is 6-fluoro-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-1H-indole.

Molecular Properties

Compound Name6-fluoro-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-1H-indole
PubChem CID118060550
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name6-fluoro-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-1H-indole
SMILESFc1ccc2c(-c3cnn(CC4CCOCC4)c3)c[nH]c2c1
InChIInChI=1S/C17H18FN3O/c18-14-1-2-15-16(9-19-17(15)7-14)13-8-20-21(11-13)10-12-3-5-22-6-4-12/h1-2,7-9,11-12,19H,3-6,10H2
InChIKeyMMNYEOGFFPSIHZ-UHFFFAOYSA-N
XLogP3.60
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-3-[1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]pyrazol-4-yl]-1H-indole;methane
CID 159037937
2-[4-[[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanol
CID 118060628
3-(1-butylpyrazol-4-yl)-6-fluoro-1H-indole;methane
CID 161404196
4-(2-iodophenyl)-1-(oxan-4-ylmethyl)pyrazole
CID 79787929
3-[3,5-dimethyl-1-(piperidin-4-ylmethyl)pyrazol-4-yl]-6-fluoro-1H-indole;6-fluoro-3-[1-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazol-4-yl]-1H-indole
CID 161239350
6-fluoro-3-(oxan-4-ylmethyl)-1H-indole
CID 86276665
5-(6-fluoro-1H-indol-3-yl)-1-(piperidin-4-ylmethyl)indazole
CID 118382679
6-fluoro-3-[1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrazol-4-yl]-1H-indole
CID 118060605
[5-[1-(oxan-4-ylmethyl)pyrazol-4-yl]naphthalen-2-yl]methanol
CID 172677635
[2-fluoro-5-methyl-4-[1-(oxan-4-ylmethyl)pyrazol-4-yl]phenyl]methanol
CID 171906147
6-fluoro-3-[5-methyl-1-(piperidin-4-ylmethyl)pyrazol-4-yl]-1H-indole
CID 118060606
2-[4-[1-(oxan-4-ylmethyl)pyrazol-4-yl]phenyl]ethanamine
CID 166637790

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-1H-indole?
The IUPAC name of 6-fluoro-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-1H-indole (CID 118060550) is 6-fluoro-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-1H-indole.
What is the SMILES notation for 6-fluoro-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-1H-indole?
The canonical SMILES for 6-fluoro-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-1H-indole is Fc1ccc2c(-c3cnn(CC4CCOCC4)c3)c[nH]c2c1.
What is the InChIKey of 6-fluoro-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-1H-indole?
The InChIKey is MMNYEOGFFPSIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O/c18-14-1-2-15-16(9-19-17(15)7-14)13-8-20-21(11-13)10-12-3-5-22-6-4-12/h1-2,7-9,11-12,19H,3-6,10H2.
What are the key properties of 6-fluoro-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-1H-indole?
6-fluoro-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-1H-indole has a molecular weight of 299.35 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-1H-indole is sourced from PubChem (CID 118060550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).