1-(4-fluorophenyl)-3-[1-[3-(1H-indol-3-yl)propyl]piperidin-4-yl]-5-(1-methylpyrazol-4-yl)indole

C34H34FN5 — CID 10289505

IUPAC1-(4-fluorophenyl)-3-[1-[3-(1H-indol-3-yl)propyl]piperidin-4-yl]-5-(1-methylpyrazol-4-yl)indole
SMILESCn1cc(-c2ccc3c(c2)c(C2CCN(CCCc4c[nH]c5ccccc45)CC2)cn3-c2ccc(F)cc2)cn1
InChIInChI=1S/C34H34FN5/c1-38-22-27(21-37-38)25-8-13-34-31(19-25)32(23-40(34)29-11-9-28(35)10-12-29)24-14-17-39(18-15-24)16-4-5-26-20-36-33-7-3-2-6-30(26)33/h2-3,6-13,19-24,36H,4-5,14-18H2,1H3
InChIKeyMJKAOGNRJFXHBQ-UHFFFAOYSA-N
MW531.68 g/mol
LogP7.46
Rot. Bonds7

About 1-(4-fluorophenyl)-3-[1-[3-(1H-indol-3-yl)propyl]piperidin-4-yl]-5-(1-methylpyrazol-4-yl)indole

1-(4-fluorophenyl)-3-[1-[3-(1H-indol-3-yl)propyl]piperidin-4-yl]-5-(1-methylpyrazol-4-yl)indole (PubChem CID 10289505) has the molecular formula C34H34FN5 and a molecular weight of 531.68 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[1-[3-(1H-indol-3-yl)propyl]piperidin-4-yl]-5-(1-methylpyrazol-4-yl)indole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[1-[3-(1H-indol-3-yl)propyl]piperidin-4-yl]-5-(1-methylpyrazol-4-yl)indole
PubChem CID10289505
Molecular FormulaC34H34FN5
Molecular Weight531.68 g/mol
Exact Mass531.28
IUPAC Name1-(4-fluorophenyl)-3-[1-[3-(1H-indol-3-yl)propyl]piperidin-4-yl]-5-(1-methylpyrazol-4-yl)indole
SMILESCn1cc(-c2ccc3c(c2)c(C2CCN(CCCc4c[nH]c5ccccc45)CC2)cn3-c2ccc(F)cc2)cn1
InChIInChI=1S/C34H34FN5/c1-38-22-27(21-37-38)25-8-13-34-31(19-25)32(23-40(34)29-11-9-28(35)10-12-29)24-14-17-39(18-15-24)16-4-5-26-20-36-33-7-3-2-6-30(26)33/h2-3,6-13,19-24,36H,4-5,14-18H2,1H3
InChIKeyMJKAOGNRJFXHBQ-UHFFFAOYSA-N
XLogP7.46
TPSA41.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.68
LogP ≤ 57.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[1-[3-(1H-indol-3-yl)propyl]piperidin-4-yl]-5-(1-methylpyrazol-4-yl)indole?
The IUPAC name of 1-(4-fluorophenyl)-3-[1-[3-(1H-indol-3-yl)propyl]piperidin-4-yl]-5-(1-methylpyrazol-4-yl)indole (CID 10289505) is 1-(4-fluorophenyl)-3-[1-[3-(1H-indol-3-yl)propyl]piperidin-4-yl]-5-(1-methylpyrazol-4-yl)indole.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[1-[3-(1H-indol-3-yl)propyl]piperidin-4-yl]-5-(1-methylpyrazol-4-yl)indole?
The canonical SMILES for 1-(4-fluorophenyl)-3-[1-[3-(1H-indol-3-yl)propyl]piperidin-4-yl]-5-(1-methylpyrazol-4-yl)indole is Cn1cc(-c2ccc3c(c2)c(C2CCN(CCCc4c[nH]c5ccccc45)CC2)cn3-c2ccc(F)cc2)cn1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[1-[3-(1H-indol-3-yl)propyl]piperidin-4-yl]-5-(1-methylpyrazol-4-yl)indole?
The InChIKey is MJKAOGNRJFXHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34FN5/c1-38-22-27(21-37-38)25-8-13-34-31(19-25)32(23-40(34)29-11-9-28(35)10-12-29)24-14-17-39(18-15-24)16-4-5-26-20-36-33-7-3-2-6-30(26)33/h2-3,6-13,19-24,36H,4-5,14-18H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-[1-[3-(1H-indol-3-yl)propyl]piperidin-4-yl]-5-(1-methylpyrazol-4-yl)indole?
1-(4-fluorophenyl)-3-[1-[3-(1H-indol-3-yl)propyl]piperidin-4-yl]-5-(1-methylpyrazol-4-yl)indole has a molecular weight of 531.68 g/mol, XLogP of 7.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[1-[3-(1H-indol-3-yl)propyl]piperidin-4-yl]-5-(1-methylpyrazol-4-yl)indole is sourced from PubChem (CID 10289505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).