1-(4-fluorophenyl)-3-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-5-(2-methylpyrazol-3-yl)indole

C33H32FN5 — CID 10174659

IUPAC1-(4-fluorophenyl)-3-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-5-(2-methylpyrazol-3-yl)indole
SMILESCn1nccc1-c1ccc2c(c1)c(C1CCN(CCc3c[nH]c4ccccc34)CC1)cn2-c1ccc(F)cc1
InChIInChI=1S/C33H32FN5/c1-37-32(12-16-36-37)24-6-11-33-29(20-24)30(22-39(33)27-9-7-26(34)8-10-27)23-13-17-38(18-14-23)19-15-25-21-35-31-5-3-2-4-28(25)31/h2-12,16,20-23,35H,13-15,17-19H2,1H3
InChIKeyLWCXDOSTAPZEHW-UHFFFAOYSA-N
MW517.65 g/mol
LogP7.07
Rot. Bonds6

About 1-(4-fluorophenyl)-3-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-5-(2-methylpyrazol-3-yl)indole

1-(4-fluorophenyl)-3-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-5-(2-methylpyrazol-3-yl)indole (PubChem CID 10174659) has the molecular formula C33H32FN5 and a molecular weight of 517.65 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-5-(2-methylpyrazol-3-yl)indole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-5-(2-methylpyrazol-3-yl)indole
PubChem CID10174659
Molecular FormulaC33H32FN5
Molecular Weight517.65 g/mol
Exact Mass517.26
IUPAC Name1-(4-fluorophenyl)-3-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-5-(2-methylpyrazol-3-yl)indole
SMILESCn1nccc1-c1ccc2c(c1)c(C1CCN(CCc3c[nH]c4ccccc34)CC1)cn2-c1ccc(F)cc1
InChIInChI=1S/C33H32FN5/c1-37-32(12-16-36-37)24-6-11-33-29(20-24)30(22-39(33)27-9-7-26(34)8-10-27)23-13-17-38(18-14-23)19-15-25-21-35-31-5-3-2-4-28(25)31/h2-12,16,20-23,35H,13-15,17-19H2,1H3
InChIKeyLWCXDOSTAPZEHW-UHFFFAOYSA-N
XLogP7.07
TPSA41.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.65
LogP ≤ 57.07
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-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-5-(2-methylpyrazol-3-yl)indole?
The IUPAC name of 1-(4-fluorophenyl)-3-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-5-(2-methylpyrazol-3-yl)indole (CID 10174659) is 1-(4-fluorophenyl)-3-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-5-(2-methylpyrazol-3-yl)indole.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-5-(2-methylpyrazol-3-yl)indole?
The canonical SMILES for 1-(4-fluorophenyl)-3-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-5-(2-methylpyrazol-3-yl)indole is Cn1nccc1-c1ccc2c(c1)c(C1CCN(CCc3c[nH]c4ccccc34)CC1)cn2-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-5-(2-methylpyrazol-3-yl)indole?
The InChIKey is LWCXDOSTAPZEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32FN5/c1-37-32(12-16-36-37)24-6-11-33-29(20-24)30(22-39(33)27-9-7-26(34)8-10-27)23-13-17-38(18-14-23)19-15-25-21-35-31-5-3-2-4-28(25)31/h2-12,16,20-23,35H,13-15,17-19H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-5-(2-methylpyrazol-3-yl)indole?
1-(4-fluorophenyl)-3-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-5-(2-methylpyrazol-3-yl)indole has a molecular weight of 517.65 g/mol, XLogP of 7.07, 6 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-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-5-(2-methylpyrazol-3-yl)indole is sourced from PubChem (CID 10174659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).