6-fluoro-3-[1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]pyrazol-4-yl]-1H-indole;methane

C20H26F2N4 — CID 159037937

IUPAC6-fluoro-3-[1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]pyrazol-4-yl]-1H-indole;methane
SMILESC.FCCN1CCC(Cn2cc(-c3c[nH]c4cc(F)ccc34)cn2)CC1
InChIInChI=1S/C19H22F2N4.CH4/c20-5-8-24-6-3-14(4-7-24)12-25-13-15(10-23-25)18-11-22-19-9-16(21)1-2-17(18)19;/h1-2,9-11,13-14,22H,3-8,12H2;1H4
InChIKeyJVRLWDBPDKHCSC-UHFFFAOYSA-N
MW360.45 g/mol
LogP4.49
Rot. Bonds5

About 6-fluoro-3-[1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]pyrazol-4-yl]-1H-indole;methane

6-fluoro-3-[1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]pyrazol-4-yl]-1H-indole;methane (PubChem CID 159037937) has the molecular formula C20H26F2N4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 6-fluoro-3-[1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]pyrazol-4-yl]-1H-indole;methane.

Molecular Properties

Compound Name6-fluoro-3-[1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]pyrazol-4-yl]-1H-indole;methane
PubChem CID159037937
Molecular FormulaC20H26F2N4
Molecular Weight360.45 g/mol
Exact Mass360.21
IUPAC Name6-fluoro-3-[1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]pyrazol-4-yl]-1H-indole;methane
SMILESC.FCCN1CCC(Cn2cc(-c3c[nH]c4cc(F)ccc34)cn2)CC1
InChIInChI=1S/C19H22F2N4.CH4/c20-5-8-24-6-3-14(4-7-24)12-25-13-15(10-23-25)18-11-22-19-9-16(21)1-2-17(18)19;/h1-2,9-11,13-14,22H,3-8,12H2;1H4
InChIKeyJVRLWDBPDKHCSC-UHFFFAOYSA-N
XLogP4.49
TPSA36.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-3-[1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]pyrazol-4-yl]-1H-indole;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanol
CID 118060628
6-fluoro-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-1H-indole
CID 118060550
3-(1-butylpyrazol-4-yl)-6-fluoro-1H-indole;methane
CID 161404196
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
2-amino-1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanone;methane
CID 158576212
3-[1-[2-[1-(cyclopropylmethyl)pyrazol-4-yl]ethyl]piperidin-4-yl]-5-fluoro-1H-indole
CID 67758842
1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]propan-1-one;methane
CID 158907003
6-fluoro-3-[1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrazol-4-yl]-1H-indole
CID 118060605
5-(6-fluoro-1H-indol-3-yl)-1-(piperidin-4-ylmethyl)indazole
CID 118382679
6-fluoro-3-[1-(1-methylsulfonylpiperidin-2-yl)pyrazol-4-yl]-1H-indole
CID 118060455
6-fluoro-3-[5-methyl-1-(piperidin-4-ylmethyl)pyrazol-4-yl]-1H-indole
CID 118060606
6-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]pyridazin-3-amine;methane
CID 159302679

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]pyrazol-4-yl]-1H-indole;methane?
The IUPAC name of 6-fluoro-3-[1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]pyrazol-4-yl]-1H-indole;methane (CID 159037937) is 6-fluoro-3-[1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]pyrazol-4-yl]-1H-indole;methane.
What is the SMILES notation for 6-fluoro-3-[1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]pyrazol-4-yl]-1H-indole;methane?
The canonical SMILES for 6-fluoro-3-[1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]pyrazol-4-yl]-1H-indole;methane is C.FCCN1CCC(Cn2cc(-c3c[nH]c4cc(F)ccc34)cn2)CC1.
What is the InChIKey of 6-fluoro-3-[1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]pyrazol-4-yl]-1H-indole;methane?
The InChIKey is JVRLWDBPDKHCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4.CH4/c20-5-8-24-6-3-14(4-7-24)12-25-13-15(10-23-25)18-11-22-19-9-16(21)1-2-17(18)19;/h1-2,9-11,13-14,22H,3-8,12H2;1H4.
What are the key properties of 6-fluoro-3-[1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]pyrazol-4-yl]-1H-indole;methane?
6-fluoro-3-[1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]pyrazol-4-yl]-1H-indole;methane has a molecular weight of 360.45 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]pyrazol-4-yl]-1H-indole;methane is sourced from PubChem (CID 159037937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).