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

C28H40N4O — CID 134330050

IUPAC1-[4-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]piperidin-1-yl]-3-[methyl(propan-2-yl)amino]propan-2-ol
SMILESCCc1c(-c2ccnc(C)c2)[nH]c2ccc(C3CCN(CC(O)CN(C)C(C)C)CC3)cc12
InChIInChI=1S/C28H40N4O/c1-6-25-26-16-22(7-8-27(26)30-28(25)23-9-12-29-20(4)15-23)21-10-13-32(14-11-21)18-24(33)17-31(5)19(2)3/h7-9,12,15-16,19,21,24,30,33H,6,10-11,13-14,17-18H2,1-5H3
InChIKeyPZIHNMQMDRWUEU-UHFFFAOYSA-N
MW448.66 g/mol
LogP4.98
Rot. Bonds8

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

1-[4-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]piperidin-1-yl]-3-[methyl(propan-2-yl)amino]propan-2-ol (PubChem CID 134330050) has the molecular formula C28H40N4O and a molecular weight of 448.66 g/mol. Its IUPAC name is 1-[4-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]piperidin-1-yl]-3-[methyl(propan-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[4-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]piperidin-1-yl]-3-[methyl(propan-2-yl)amino]propan-2-ol
PubChem CID134330050
Molecular FormulaC28H40N4O
Molecular Weight448.66 g/mol
Exact Mass448.32
IUPAC Name1-[4-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]piperidin-1-yl]-3-[methyl(propan-2-yl)amino]propan-2-ol
SMILESCCc1c(-c2ccnc(C)c2)[nH]c2ccc(C3CCN(CC(O)CN(C)C(C)C)CC3)cc12
InChIInChI=1S/C28H40N4O/c1-6-25-26-16-22(7-8-27(26)30-28(25)23-9-12-29-20(4)15-23)21-10-13-32(14-11-21)18-24(33)17-31(5)19(2)3/h7-9,12,15-16,19,21,24,30,33H,6,10-11,13-14,17-18H2,1-5H3
InChIKeyPZIHNMQMDRWUEU-UHFFFAOYSA-N
XLogP4.98
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.66
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]piperidin-1-yl]-3-[methyl(propan-2-yl)amino]propan-2-ol?
The IUPAC name of 1-[4-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]piperidin-1-yl]-3-[methyl(propan-2-yl)amino]propan-2-ol (CID 134330050) is 1-[4-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]piperidin-1-yl]-3-[methyl(propan-2-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[4-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]piperidin-1-yl]-3-[methyl(propan-2-yl)amino]propan-2-ol?
The canonical SMILES for 1-[4-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]piperidin-1-yl]-3-[methyl(propan-2-yl)amino]propan-2-ol is CCc1c(-c2ccnc(C)c2)[nH]c2ccc(C3CCN(CC(O)CN(C)C(C)C)CC3)cc12.
What is the InChIKey of 1-[4-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]piperidin-1-yl]-3-[methyl(propan-2-yl)amino]propan-2-ol?
The InChIKey is PZIHNMQMDRWUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N4O/c1-6-25-26-16-22(7-8-27(26)30-28(25)23-9-12-29-20(4)15-23)21-10-13-32(14-11-21)18-24(33)17-31(5)19(2)3/h7-9,12,15-16,19,21,24,30,33H,6,10-11,13-14,17-18H2,1-5H3.
What are the key properties of 1-[4-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]piperidin-1-yl]-3-[methyl(propan-2-yl)amino]propan-2-ol?
1-[4-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]piperidin-1-yl]-3-[methyl(propan-2-yl)amino]propan-2-ol has a molecular weight of 448.66 g/mol, XLogP of 4.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]piperidin-1-yl]-3-[methyl(propan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 134330050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).