2-[4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-2-pyridinyl]propan-2-ol

C24H31N3O — CID 134329903

IUPAC2-[4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-2-pyridinyl]propan-2-ol
SMILESCC(C)c1c(-c2ccnc(C(C)(C)O)c2)[nH]c2ccc(C3CCNCC3)cc12
InChIInChI=1S/C24H31N3O/c1-15(2)22-19-13-17(16-7-10-25-11-8-16)5-6-20(19)27-23(22)18-9-12-26-21(14-18)24(3,4)28/h5-6,9,12-16,25,27-28H,7-8,10-11H2,1-4H3
InChIKeyXBORVKXVXLMXGU-UHFFFAOYSA-N
MW377.53 g/mol
LogP5.05
Rot. Bonds4

About 2-[4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-2-pyridinyl]propan-2-ol

2-[4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-2-pyridinyl]propan-2-ol (PubChem CID 134329903) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is 2-[4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-2-pyridinyl]propan-2-ol
PubChem CID134329903
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name2-[4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-2-pyridinyl]propan-2-ol
SMILESCC(C)c1c(-c2ccnc(C(C)(C)O)c2)[nH]c2ccc(C3CCNCC3)cc12
InChIInChI=1S/C24H31N3O/c1-15(2)22-19-13-17(16-7-10-25-11-8-16)5-6-20(19)27-23(22)18-9-12-26-21(14-18)24(3,4)28/h5-6,9,12-16,25,27-28H,7-8,10-11H2,1-4H3
InChIKeyXBORVKXVXLMXGU-UHFFFAOYSA-N
XLogP5.05
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.53
LogP ≤ 55.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-2-pyridinyl]propan-2-ol (CID 134329903) is 2-[4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-2-pyridinyl]propan-2-ol is CC(C)c1c(-c2ccnc(C(C)(C)O)c2)[nH]c2ccc(C3CCNCC3)cc12.
What is the InChIKey of 2-[4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-2-pyridinyl]propan-2-ol?
The InChIKey is XBORVKXVXLMXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c1-15(2)22-19-13-17(16-7-10-25-11-8-16)5-6-20(19)27-23(22)18-9-12-26-21(14-18)24(3,4)28/h5-6,9,12-16,25,27-28H,7-8,10-11H2,1-4H3.
What are the key properties of 2-[4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-2-pyridinyl]propan-2-ol?
2-[4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-2-pyridinyl]propan-2-ol has a molecular weight of 377.53 g/mol, XLogP of 5.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 134329903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).