2-[[1-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]piperidin-4-yl]amino]ethanol

C28H33N5O — CID 164553519

IUPAC2-[[1-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]piperidin-4-yl]amino]ethanol
SMILESCc1cc(-c2[nH]c3cc(-c4ccc(N5CCC(NCCO)CC5)nc4)ccc3c2C)cc(C)n1
InChIInChI=1S/C28H33N5O/c1-18-14-23(15-19(2)31-18)28-20(3)25-6-4-21(16-26(25)32-28)22-5-7-27(30-17-22)33-11-8-24(9-12-33)29-10-13-34/h4-7,14-17,24,29,32,34H,8-13H2,1-3H3
InChIKeyXTWVXHWCMRTXJP-UHFFFAOYSA-N
MW455.61 g/mol
LogP4.77
Rot. Bonds6

About 2-[[1-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]piperidin-4-yl]amino]ethanol

2-[[1-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]piperidin-4-yl]amino]ethanol (PubChem CID 164553519) has the molecular formula C28H33N5O and a molecular weight of 455.61 g/mol. Its IUPAC name is 2-[[1-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]piperidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[1-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]piperidin-4-yl]amino]ethanol
PubChem CID164553519
Molecular FormulaC28H33N5O
Molecular Weight455.61 g/mol
Exact Mass455.27
IUPAC Name2-[[1-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]piperidin-4-yl]amino]ethanol
SMILESCc1cc(-c2[nH]c3cc(-c4ccc(N5CCC(NCCO)CC5)nc4)ccc3c2C)cc(C)n1
InChIInChI=1S/C28H33N5O/c1-18-14-23(15-19(2)31-18)28-20(3)25-6-4-21(16-26(25)32-28)22-5-7-27(30-17-22)33-11-8-24(9-12-33)29-10-13-34/h4-7,14-17,24,29,32,34H,8-13H2,1-3H3
InChIKeyXTWVXHWCMRTXJP-UHFFFAOYSA-N
XLogP4.77
TPSA77.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.61
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]piperidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[1-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]piperidin-4-yl]amino]ethanol (CID 164553519) is 2-[[1-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]piperidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[1-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]piperidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[1-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]piperidin-4-yl]amino]ethanol is Cc1cc(-c2[nH]c3cc(-c4ccc(N5CCC(NCCO)CC5)nc4)ccc3c2C)cc(C)n1.
What is the InChIKey of 2-[[1-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]piperidin-4-yl]amino]ethanol?
The InChIKey is XTWVXHWCMRTXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O/c1-18-14-23(15-19(2)31-18)28-20(3)25-6-4-21(16-26(25)32-28)22-5-7-27(30-17-22)33-11-8-24(9-12-33)29-10-13-34/h4-7,14-17,24,29,32,34H,8-13H2,1-3H3.
What are the key properties of 2-[[1-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]piperidin-4-yl]amino]ethanol?
2-[[1-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]piperidin-4-yl]amino]ethanol has a molecular weight of 455.61 g/mol, XLogP of 4.77, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]piperidin-4-yl]amino]ethanol is sourced from PubChem (CID 164553519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).