3-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[(2S)-oxolan-2-yl]-1H-pyrrolo[2,3-b]pyridine

C18H25N3O — CID 51593062

IUPAC3-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[(2S)-oxolan-2-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESC[C@H]1CCCN(Cc2c([C@@H]3CCCO3)[nH]c3ncccc23)C1
InChIInChI=1S/C18H25N3O/c1-13-5-3-9-21(11-13)12-15-14-6-2-8-19-18(14)20-17(15)16-7-4-10-22-16/h2,6,8,13,16H,3-5,7,9-12H2,1H3,(H,19,20)/t13-,16-/m0/s1
InChIKeyVDPLXOGYOJQZNK-BBRMVZONSA-N
MW299.42 g/mol
LogP3.65
Rot. Bonds3

About 3-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[(2S)-oxolan-2-yl]-1H-pyrrolo[2,3-b]pyridine

3-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[(2S)-oxolan-2-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 51593062) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 3-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[(2S)-oxolan-2-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[(2S)-oxolan-2-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID51593062
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name3-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[(2S)-oxolan-2-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESC[C@H]1CCCN(Cc2c([C@@H]3CCCO3)[nH]c3ncccc23)C1
InChIInChI=1S/C18H25N3O/c1-13-5-3-9-21(11-13)12-15-14-6-2-8-19-18(14)20-17(15)16-7-4-10-22-16/h2,6,8,13,16H,3-5,7,9-12H2,1H3,(H,19,20)/t13-,16-/m0/s1
InChIKeyVDPLXOGYOJQZNK-BBRMVZONSA-N
XLogP3.65
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[(2S)-oxolan-2-yl]-1H-pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

3-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 95854321
2-cyclopentyl-3-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 95853016
4-[2-[(3-methylpiperidin-1-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide
CID 59506892
1-[3-[3-(1,4-oxazepan-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]ethanone
CID 110235220
2-piperidin-4-yl-3-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 92571670
(3R)-1-[[2-[(3S)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidin-3-ol
CID 124802857
N-methyl-N-[[2-[(2R)-oxolan-2-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-phenylpropan-1-amine
CID 46966721
(9aS)-2-[(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 124909668
2,6-dimethyl-4-[(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]morpholine
CID 110234738
4-[(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1,4-oxazepane;hydrochloride
CID 118741935
3-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
CID 95853010
2-chloro-3-[(3-methylpiperidin-1-yl)methyl]pyridine;ethane
CID 145106063

Frequently Asked Questions

What is the IUPAC name of 3-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[(2S)-oxolan-2-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[(2S)-oxolan-2-yl]-1H-pyrrolo[2,3-b]pyridine (CID 51593062) is 3-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[(2S)-oxolan-2-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[(2S)-oxolan-2-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[(2S)-oxolan-2-yl]-1H-pyrrolo[2,3-b]pyridine is C[C@H]1CCCN(Cc2c([C@@H]3CCCO3)[nH]c3ncccc23)C1.
What is the InChIKey of 3-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[(2S)-oxolan-2-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is VDPLXOGYOJQZNK-BBRMVZONSA-N. The full InChI is InChI=1S/C18H25N3O/c1-13-5-3-9-21(11-13)12-15-14-6-2-8-19-18(14)20-17(15)16-7-4-10-22-16/h2,6,8,13,16H,3-5,7,9-12H2,1H3,(H,19,20)/t13-,16-/m0/s1.
What are the key properties of 3-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[(2S)-oxolan-2-yl]-1H-pyrrolo[2,3-b]pyridine?
3-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[(2S)-oxolan-2-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 299.42 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[(2S)-oxolan-2-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 51593062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).