(3-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-[(2-methylpropan-2-yl)oxy]methanol

C13H20N2O2 — CID 146594607

IUPAC(3-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-[(2-methylpropan-2-yl)oxy]methanol
SMILESCC1CN(C(O)OC(C)(C)C)c2ncccc21
InChIInChI=1S/C13H20N2O2/c1-9-8-15(12(16)17-13(2,3)4)11-10(9)6-5-7-14-11/h5-7,9,12,16H,8H2,1-4H3
InChIKeyQYFMHKURGYXBFR-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.10
Rot. Bonds2

About (3-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-[(2-methylpropan-2-yl)oxy]methanol

(3-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-[(2-methylpropan-2-yl)oxy]methanol (PubChem CID 146594607) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is (3-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-[(2-methylpropan-2-yl)oxy]methanol.

Molecular Properties

Compound Name(3-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-[(2-methylpropan-2-yl)oxy]methanol
PubChem CID146594607
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name(3-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-[(2-methylpropan-2-yl)oxy]methanol
SMILESCC1CN(C(O)OC(C)(C)C)c2ncccc21
InChIInChI=1S/C13H20N2O2/c1-9-8-15(12(16)17-13(2,3)4)11-10(9)6-5-7-14-11/h5-7,9,12,16H,8H2,1-4H3
InChIKeyQYFMHKURGYXBFR-UHFFFAOYSA-N
XLogP2.10
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,2,3-trimethyl-3H-pyrazolo[3,4-b]pyridine
CID 144806472
(2R)-2-[(3R)-3-methyl-2,3-dihydroindol-1-yl]-N-pyrimidin-2-ylpropanamide
CID 129378770
4-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 55288006
tert-butyl 4-amino-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 130140958
2-(3,4-dimethylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 79181220
tert-butyl 2-(2-piperazin-1-yl-3-pyridinyl)pyrrolidine-1-carboxylate
CID 102541661
tert-butyl 5-amino-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate
CID 71700032
tert-butyl (3S,4R)-3-(dihydroxymethyl)-4-pyridin-3-ylpyrrolidine-1-carboxylate
CID 145050678
3-chloro-2-(3-methylazetidin-1-yl)pyridine
CID 103094608
5,6,7-trimethyl-5,7-dihydropyrrolo[3,4-b]pyridine
CID 59616840
3-iodo-2-(3-methylazetidin-1-yl)pyridine
CID 170381224
(3R,4R)-1-(3-amino-2-pyridinyl)-3-methylpiperidin-4-ol
CID 129445700

Frequently Asked Questions

What is the IUPAC name of (3-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-[(2-methylpropan-2-yl)oxy]methanol?
The IUPAC name of (3-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-[(2-methylpropan-2-yl)oxy]methanol (CID 146594607) is (3-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-[(2-methylpropan-2-yl)oxy]methanol.
What is the SMILES notation for (3-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-[(2-methylpropan-2-yl)oxy]methanol?
The canonical SMILES for (3-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-[(2-methylpropan-2-yl)oxy]methanol is CC1CN(C(O)OC(C)(C)C)c2ncccc21.
What is the InChIKey of (3-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-[(2-methylpropan-2-yl)oxy]methanol?
The InChIKey is QYFMHKURGYXBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9-8-15(12(16)17-13(2,3)4)11-10(9)6-5-7-14-11/h5-7,9,12,16H,8H2,1-4H3.
What are the key properties of (3-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-[(2-methylpropan-2-yl)oxy]methanol?
(3-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-[(2-methylpropan-2-yl)oxy]methanol has a molecular weight of 236.31 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-[(2-methylpropan-2-yl)oxy]methanol is sourced from PubChem (CID 146594607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).