1-[4-(1H-indol-3-yl)-6-phenylpyrimidin-2-yl]piperidin-4-ol

C23H22N4O — CID 69344223

IUPAC1-[4-(1H-indol-3-yl)-6-phenylpyrimidin-2-yl]piperidin-4-ol
SMILESOC1CCN(c2nc(-c3ccccc3)cc(-c3c[nH]c4ccccc34)n2)CC1
InChIInChI=1S/C23H22N4O/c28-17-10-12-27(13-11-17)23-25-21(16-6-2-1-3-7-16)14-22(26-23)19-15-24-20-9-5-4-8-18(19)20/h1-9,14-15,17,24,28H,10-13H2
InChIKeySHOAUGNXALUHJG-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.25
Rot. Bonds3

About 1-[4-(1H-indol-3-yl)-6-phenylpyrimidin-2-yl]piperidin-4-ol

1-[4-(1H-indol-3-yl)-6-phenylpyrimidin-2-yl]piperidin-4-ol (PubChem CID 69344223) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 1-[4-(1H-indol-3-yl)-6-phenylpyrimidin-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[4-(1H-indol-3-yl)-6-phenylpyrimidin-2-yl]piperidin-4-ol
PubChem CID69344223
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name1-[4-(1H-indol-3-yl)-6-phenylpyrimidin-2-yl]piperidin-4-ol
SMILESOC1CCN(c2nc(-c3ccccc3)cc(-c3c[nH]c4ccccc34)n2)CC1
InChIInChI=1S/C23H22N4O/c28-17-10-12-27(13-11-17)23-25-21(16-6-2-1-3-7-16)14-22(26-23)19-15-24-20-9-5-4-8-18(19)20/h1-9,14-15,17,24,28H,10-13H2
InChIKeySHOAUGNXALUHJG-UHFFFAOYSA-N
XLogP4.25
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-indol-3-yl)-6-phenylpyrimidin-2-yl]piperidin-4-ol?
The IUPAC name of 1-[4-(1H-indol-3-yl)-6-phenylpyrimidin-2-yl]piperidin-4-ol (CID 69344223) is 1-[4-(1H-indol-3-yl)-6-phenylpyrimidin-2-yl]piperidin-4-ol.
What is the SMILES notation for 1-[4-(1H-indol-3-yl)-6-phenylpyrimidin-2-yl]piperidin-4-ol?
The canonical SMILES for 1-[4-(1H-indol-3-yl)-6-phenylpyrimidin-2-yl]piperidin-4-ol is OC1CCN(c2nc(-c3ccccc3)cc(-c3c[nH]c4ccccc34)n2)CC1.
What is the InChIKey of 1-[4-(1H-indol-3-yl)-6-phenylpyrimidin-2-yl]piperidin-4-ol?
The InChIKey is SHOAUGNXALUHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c28-17-10-12-27(13-11-17)23-25-21(16-6-2-1-3-7-16)14-22(26-23)19-15-24-20-9-5-4-8-18(19)20/h1-9,14-15,17,24,28H,10-13H2.
What are the key properties of 1-[4-(1H-indol-3-yl)-6-phenylpyrimidin-2-yl]piperidin-4-ol?
1-[4-(1H-indol-3-yl)-6-phenylpyrimidin-2-yl]piperidin-4-ol has a molecular weight of 370.46 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-indol-3-yl)-6-phenylpyrimidin-2-yl]piperidin-4-ol is sourced from PubChem (CID 69344223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).