4-[2-(4-fluorophenyl)-6-piperidin-4-yl-1H-indol-3-yl]pyrimidin-2-amine

C23H22FN5 — CID 44564994

IUPAC4-[2-(4-fluorophenyl)-6-piperidin-4-yl-1H-indol-3-yl]pyrimidin-2-amine
SMILESNc1nccc(-c2c(-c3ccc(F)cc3)[nH]c3cc(C4CCNCC4)ccc23)n1
InChIInChI=1S/C23H22FN5/c24-17-4-1-15(2-5-17)22-21(19-9-12-27-23(25)29-19)18-6-3-16(13-20(18)28-22)14-7-10-26-11-8-14/h1-6,9,12-14,26,28H,7-8,10-11H2,(H2,25,27,29)
InChIKeyPEHRQIJQFNPLJC-UHFFFAOYSA-N
MW387.46 g/mol
LogP4.48
Rot. Bonds3

About 4-[2-(4-fluorophenyl)-6-piperidin-4-yl-1H-indol-3-yl]pyrimidin-2-amine

4-[2-(4-fluorophenyl)-6-piperidin-4-yl-1H-indol-3-yl]pyrimidin-2-amine (PubChem CID 44564994) has the molecular formula C23H22FN5 and a molecular weight of 387.46 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-6-piperidin-4-yl-1H-indol-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-6-piperidin-4-yl-1H-indol-3-yl]pyrimidin-2-amine
PubChem CID44564994
Molecular FormulaC23H22FN5
Molecular Weight387.46 g/mol
Exact Mass387.19
IUPAC Name4-[2-(4-fluorophenyl)-6-piperidin-4-yl-1H-indol-3-yl]pyrimidin-2-amine
SMILESNc1nccc(-c2c(-c3ccc(F)cc3)[nH]c3cc(C4CCNCC4)ccc23)n1
InChIInChI=1S/C23H22FN5/c24-17-4-1-15(2-5-17)22-21(19-9-12-27-23(25)29-19)18-6-3-16(13-20(18)28-22)14-7-10-26-11-8-14/h1-6,9,12-14,26,28H,7-8,10-11H2,(H2,25,27,29)
InChIKeyPEHRQIJQFNPLJC-UHFFFAOYSA-N
XLogP4.48
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-6-piperidin-4-yl-1H-indol-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-[2-(4-fluorophenyl)-6-piperidin-4-yl-1H-indol-3-yl]pyrimidin-2-amine (CID 44564994) is 4-[2-(4-fluorophenyl)-6-piperidin-4-yl-1H-indol-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-6-piperidin-4-yl-1H-indol-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[2-(4-fluorophenyl)-6-piperidin-4-yl-1H-indol-3-yl]pyrimidin-2-amine is Nc1nccc(-c2c(-c3ccc(F)cc3)[nH]c3cc(C4CCNCC4)ccc23)n1.
What is the InChIKey of 4-[2-(4-fluorophenyl)-6-piperidin-4-yl-1H-indol-3-yl]pyrimidin-2-amine?
The InChIKey is PEHRQIJQFNPLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5/c24-17-4-1-15(2-5-17)22-21(19-9-12-27-23(25)29-19)18-6-3-16(13-20(18)28-22)14-7-10-26-11-8-14/h1-6,9,12-14,26,28H,7-8,10-11H2,(H2,25,27,29).
What are the key properties of 4-[2-(4-fluorophenyl)-6-piperidin-4-yl-1H-indol-3-yl]pyrimidin-2-amine?
4-[2-(4-fluorophenyl)-6-piperidin-4-yl-1H-indol-3-yl]pyrimidin-2-amine has a molecular weight of 387.46 g/mol, XLogP of 4.48, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-6-piperidin-4-yl-1H-indol-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 44564994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).