1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-3-yl)indole

C24H25FN4 — CID 71508713

IUPAC1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-3-yl)indole
SMILESCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ccn(C)n4)cc23)CC1
InChIInChI=1S/C24H25FN4/c1-27-12-9-17(10-13-27)22-16-29(20-6-4-19(25)5-7-20)24-8-3-18(15-21(22)24)23-11-14-28(2)26-23/h3-8,11,14-17H,9-10,12-13H2,1-2H3
InChIKeyRWIIDELOEVNLPK-UHFFFAOYSA-N
MW388.49 g/mol
LogP4.98
Rot. Bonds3

About 1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-3-yl)indole

1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-3-yl)indole (PubChem CID 71508713) has the molecular formula C24H25FN4 and a molecular weight of 388.49 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-3-yl)indole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-3-yl)indole
PubChem CID71508713
Molecular FormulaC24H25FN4
Molecular Weight388.49 g/mol
Exact Mass388.21
IUPAC Name1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-3-yl)indole
SMILESCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ccn(C)n4)cc23)CC1
InChIInChI=1S/C24H25FN4/c1-27-12-9-17(10-13-27)22-16-29(20-6-4-19(25)5-7-20)24-8-3-18(15-21(22)24)23-11-14-28(2)26-23/h3-8,11,14-17H,9-10,12-13H2,1-2H3
InChIKeyRWIIDELOEVNLPK-UHFFFAOYSA-N
XLogP4.98
TPSA25.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-3-yl)indole?
The IUPAC name of 1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-3-yl)indole (CID 71508713) is 1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-3-yl)indole.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-3-yl)indole?
The canonical SMILES for 1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-3-yl)indole is CN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ccn(C)n4)cc23)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-3-yl)indole?
The InChIKey is RWIIDELOEVNLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4/c1-27-12-9-17(10-13-27)22-16-29(20-6-4-19(25)5-7-20)24-8-3-18(15-21(22)24)23-11-14-28(2)26-23/h3-8,11,14-17H,9-10,12-13H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-3-yl)indole?
1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-3-yl)indole has a molecular weight of 388.49 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-3-yl)indole is sourced from PubChem (CID 71508713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).