2-[benzyl-[[2-[(3S)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]amino]ethanol

C22H28N4O — CID 92574750

IUPAC2-[benzyl-[[2-[(3S)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]amino]ethanol
SMILESOCCN(Cc1ccccc1)Cc1c([C@H]2CCCNC2)[nH]c2ncccc12
InChIInChI=1S/C22H28N4O/c27-13-12-26(15-17-6-2-1-3-7-17)16-20-19-9-5-11-24-22(19)25-21(20)18-8-4-10-23-14-18/h1-3,5-7,9,11,18,23,27H,4,8,10,12-16H2,(H,24,25)/t18-/m0/s1
InChIKeyAYIJLZVSEQULGJ-SFHVURJKSA-N
MW364.49 g/mol
LogP3.02
Rot. Bonds7

About 2-[benzyl-[[2-[(3S)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]amino]ethanol

2-[benzyl-[[2-[(3S)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]amino]ethanol (PubChem CID 92574750) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-[benzyl-[[2-[(3S)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[benzyl-[[2-[(3S)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]amino]ethanol
PubChem CID92574750
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name2-[benzyl-[[2-[(3S)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]amino]ethanol
SMILESOCCN(Cc1ccccc1)Cc1c([C@H]2CCCNC2)[nH]c2ncccc12
InChIInChI=1S/C22H28N4O/c27-13-12-26(15-17-6-2-1-3-7-17)16-20-19-9-5-11-24-22(19)25-21(20)18-8-4-10-23-14-18/h1-3,5-7,9,11,18,23,27H,4,8,10,12-16H2,(H,24,25)/t18-/m0/s1
InChIKeyAYIJLZVSEQULGJ-SFHVURJKSA-N
XLogP3.02
TPSA64.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[benzyl-[[2-[(3S)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]amino]ethanol with MolForge

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Related Compounds

N-[(2-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-ethylethanamine
CID 95853015
1-[(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]piperidin-4-ol
CID 110234744
(3R)-1-[[2-[(3S)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidin-3-ol
CID 124802857
4-[(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1,4-oxazepane;hydrochloride
CID 118741935
N-methyl-N-[(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]cyclohexanamine
CID 95854323
1-[(3R)-3-[3-[[benzyl(methyl)amino]methyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]propan-1-one
CID 92585194
N-benzyl-5-chloro-N-methyl-6-(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine
CID 90412006
2-[benzyl-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]amino]ethanol
CID 155951941
2-piperidin-4-yl-3-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 92571670
2-[benzyl(1H-imidazol-2-ylmethyl)amino]ethanol
CID 130159418
2-cyclopentyl-3-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 95853016
3-piperidin-3-yl-2H-pyrazolo[3,4-b]pyridine;tetrahydrochloride
CID 171687240

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[[2-[(3S)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]amino]ethanol?
The IUPAC name of 2-[benzyl-[[2-[(3S)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]amino]ethanol (CID 92574750) is 2-[benzyl-[[2-[(3S)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]amino]ethanol.
What is the SMILES notation for 2-[benzyl-[[2-[(3S)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]amino]ethanol?
The canonical SMILES for 2-[benzyl-[[2-[(3S)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]amino]ethanol is OCCN(Cc1ccccc1)Cc1c([C@H]2CCCNC2)[nH]c2ncccc12.
What is the InChIKey of 2-[benzyl-[[2-[(3S)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]amino]ethanol?
The InChIKey is AYIJLZVSEQULGJ-SFHVURJKSA-N. The full InChI is InChI=1S/C22H28N4O/c27-13-12-26(15-17-6-2-1-3-7-17)16-20-19-9-5-11-24-22(19)25-21(20)18-8-4-10-23-14-18/h1-3,5-7,9,11,18,23,27H,4,8,10,12-16H2,(H,24,25)/t18-/m0/s1.
What are the key properties of 2-[benzyl-[[2-[(3S)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]amino]ethanol?
2-[benzyl-[[2-[(3S)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]amino]ethanol has a molecular weight of 364.49 g/mol, XLogP of 3.02, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[[2-[(3S)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]amino]ethanol is sourced from PubChem (CID 92574750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).