3-(3-methoxy-1,2,3,6-tetrahydropyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine

C13H15N3O — CID 168995117

IUPAC3-(3-methoxy-1,2,3,6-tetrahydropyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOC1C=C(c2c[nH]c3ncccc23)CNC1
InChIInChI=1S/C13H15N3O/c1-17-10-5-9(6-14-7-10)12-8-16-13-11(12)3-2-4-15-13/h2-5,8,10,14H,6-7H2,1H3,(H,15,16)
InChIKeyTZXUGTYBEFCTFT-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.56
Rot. Bonds2

About 3-(3-methoxy-1,2,3,6-tetrahydropyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine

3-(3-methoxy-1,2,3,6-tetrahydropyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 168995117) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-(3-methoxy-1,2,3,6-tetrahydropyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(3-methoxy-1,2,3,6-tetrahydropyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID168995117
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name3-(3-methoxy-1,2,3,6-tetrahydropyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOC1C=C(c2c[nH]c3ncccc23)CNC1
InChIInChI=1S/C13H15N3O/c1-17-10-5-9(6-14-7-10)12-8-16-13-11(12)3-2-4-15-13/h2-5,8,10,14H,6-7H2,1H3,(H,15,16)
InChIKeyTZXUGTYBEFCTFT-UHFFFAOYSA-N
XLogP1.56
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(trifluoromethyl)-1,2,3,6-tetrahydropyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine
CID 168995104
3-(1-methyl-2,5-dihydropyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine
CID 58349740
3-[(3S)-1,3-dimethyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine
CID 170328773
ethane;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 142023556
3-[(3S)-3-methyl-2,3-dihydro-1H-pyrrol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 171510288
3-[(3S)-1-cyclobutyl-3-methyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine
CID 170382179
3-[1-(2,2-difluoropropyl)-3-methyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine
CID 168995085
3-(1-methylsulfinyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 144855080
3-pyridazin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 175782285
3-(2,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 58087195
3-[(3S)-1-(furan-2-ylmethyl)-3-methyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine
CID 170382189
3-[3-methyl-1-[(3-methyloxetan-3-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine
CID 169090211

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-1,2,3,6-tetrahydropyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(3-methoxy-1,2,3,6-tetrahydropyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine (CID 168995117) is 3-(3-methoxy-1,2,3,6-tetrahydropyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(3-methoxy-1,2,3,6-tetrahydropyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(3-methoxy-1,2,3,6-tetrahydropyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine is COC1C=C(c2c[nH]c3ncccc23)CNC1.
What is the InChIKey of 3-(3-methoxy-1,2,3,6-tetrahydropyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is TZXUGTYBEFCTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-17-10-5-9(6-14-7-10)12-8-16-13-11(12)3-2-4-15-13/h2-5,8,10,14H,6-7H2,1H3,(H,15,16).
What are the key properties of 3-(3-methoxy-1,2,3,6-tetrahydropyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine?
3-(3-methoxy-1,2,3,6-tetrahydropyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 229.28 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-1,2,3,6-tetrahydropyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 168995117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).