5-fluoro-3-[1-[2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethyl]piperidin-4-yl]-1H-indole

C25H26F2N4 — CID 15837561

IUPAC5-fluoro-3-[1-[2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethyl]piperidin-4-yl]-1H-indole
SMILESCc1[nH]nc(-c2ccc(F)cc2)c1CCN1CCC(c2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C25H26F2N4/c1-16-21(25(30-29-16)18-2-4-19(26)5-3-18)10-13-31-11-8-17(9-12-31)23-15-28-24-7-6-20(27)14-22(23)24/h2-7,14-15,17,28H,8-13H2,1H3,(H,29,30)
InChIKeyBGDSHWHGAUKHQA-UHFFFAOYSA-N
MW420.51 g/mol
LogP5.57
Rot. Bonds5

About 5-fluoro-3-[1-[2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethyl]piperidin-4-yl]-1H-indole

5-fluoro-3-[1-[2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethyl]piperidin-4-yl]-1H-indole (PubChem CID 15837561) has the molecular formula C25H26F2N4 and a molecular weight of 420.51 g/mol. Its IUPAC name is 5-fluoro-3-[1-[2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethyl]piperidin-4-yl]-1H-indole.

Molecular Properties

Compound Name5-fluoro-3-[1-[2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethyl]piperidin-4-yl]-1H-indole
PubChem CID15837561
Molecular FormulaC25H26F2N4
Molecular Weight420.51 g/mol
Exact Mass420.21
IUPAC Name5-fluoro-3-[1-[2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethyl]piperidin-4-yl]-1H-indole
SMILESCc1[nH]nc(-c2ccc(F)cc2)c1CCN1CCC(c2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C25H26F2N4/c1-16-21(25(30-29-16)18-2-4-19(26)5-3-18)10-13-31-11-8-17(9-12-31)23-15-28-24-7-6-20(27)14-22(23)24/h2-7,14-15,17,28H,8-13H2,1H3,(H,29,30)
InChIKeyBGDSHWHGAUKHQA-UHFFFAOYSA-N
XLogP5.57
TPSA47.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-fluoro-3-[1-[2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethyl]piperidin-4-yl]-1H-indole 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

3-[1-[2-[1-(cyclopropylmethyl)pyrazol-4-yl]ethyl]piperidin-4-yl]-5-fluoro-1H-indole
CID 67758842
1-[3-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-4-methylphenyl]-3-(4-fluorophenyl)urea
CID 22714409
3-[1-(cyclooctylmethyl)piperidin-4-yl]-5-fluoro-1H-indole
CID 16665917
5-[3-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]propoxy]-2-methyl-1,3-benzothiazole
CID 10180659
5-[5-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]pentoxy]-2-methyl-1,3-benzothiazole
CID 10182471
3-(5-fluoro-1H-indol-3-yl)-1-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 155535386
1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 113087417
tert-butyl N-[3-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-4-methylphenyl]carbamate
CID 10138878
6-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one
CID 10023495
6-fluoro-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-1H-benzimidazole
CID 12041811
N-[3-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-4-methylphenyl]thiophene-2-carboxamide
CID 10276428
3-[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-indole
CID 67753677

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[1-[2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethyl]piperidin-4-yl]-1H-indole?
The IUPAC name of 5-fluoro-3-[1-[2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethyl]piperidin-4-yl]-1H-indole (CID 15837561) is 5-fluoro-3-[1-[2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethyl]piperidin-4-yl]-1H-indole.
What is the SMILES notation for 5-fluoro-3-[1-[2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethyl]piperidin-4-yl]-1H-indole?
The canonical SMILES for 5-fluoro-3-[1-[2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethyl]piperidin-4-yl]-1H-indole is Cc1[nH]nc(-c2ccc(F)cc2)c1CCN1CCC(c2c[nH]c3ccc(F)cc23)CC1.
What is the InChIKey of 5-fluoro-3-[1-[2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethyl]piperidin-4-yl]-1H-indole?
The InChIKey is BGDSHWHGAUKHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N4/c1-16-21(25(30-29-16)18-2-4-19(26)5-3-18)10-13-31-11-8-17(9-12-31)23-15-28-24-7-6-20(27)14-22(23)24/h2-7,14-15,17,28H,8-13H2,1H3,(H,29,30).
What are the key properties of 5-fluoro-3-[1-[2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethyl]piperidin-4-yl]-1H-indole?
5-fluoro-3-[1-[2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethyl]piperidin-4-yl]-1H-indole has a molecular weight of 420.51 g/mol, XLogP of 5.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[1-[2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethyl]piperidin-4-yl]-1H-indole is sourced from PubChem (CID 15837561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).