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

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

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Launch Full Analysis

Related Compounds

(3R)-1-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]pyrrolidin-3-amine
CID 164553705
1-[4-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]piperazin-1-yl]ethanone;ethane
CID 164553749
[4-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]-1-methylpiperazin-2-yl]methanol
CID 164553605
2-(2,6-dimethyl-4-pyridinyl)-3-methyl-6-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]-1H-indole
CID 164553847
2-(2,6-dimethyl-4-pyridinyl)-3-methyl-6-[6-[4-(oxetan-3-yl)piperazin-1-yl]-3-pyridinyl]-1H-indole;ethane
CID 164553597
[4-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]piperazin-1-yl]-oxo-[(3R)-pyrrolidin-3-yl]azanium
CID 164553751
tert-butyl N-[1-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]pyridine-2-carbonyl]piperidin-4-yl]carbamate
CID 164553545
3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indole
CID 164553910
3-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-6-[6-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)-3-pyridinyl]-1H-indole
CID 164553722
2-(2,6-dimethyl-4-pyridinyl)-3-methyl-N-[(3S)-piperidin-3-yl]-1H-indole-6-carboxamide
CID 164553821
3-[6-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-2-yl]-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 164553956
methyl 3-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]benzoate
CID 164553795

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).