4-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine

C14H17N3O — CID 168941538

IUPAC4-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccnc2[nH]cc(C3=CCCN(C)C3)c12
InChIInChI=1S/C14H17N3O/c1-17-7-3-4-10(9-17)11-8-16-14-13(11)12(18-2)5-6-15-14/h4-6,8H,3,7,9H2,1-2H3,(H,15,16)
InChIKeyLZVMEEZIJRBYQX-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.29
Rot. Bonds2

About 4-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine

4-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 168941538) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID168941538
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccnc2[nH]cc(C3=CCCN(C)C3)c12
InChIInChI=1S/C14H17N3O/c1-17-7-3-4-10(9-17)11-8-16-14-13(11)12(18-2)5-6-15-14/h4-6,8H,3,7,9H2,1-2H3,(H,15,16)
InChIKeyLZVMEEZIJRBYQX-UHFFFAOYSA-N
XLogP2.29
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine (CID 168941538) is 4-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine is COc1ccnc2[nH]cc(C3=CCCN(C)C3)c12.
What is the InChIKey of 4-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is LZVMEEZIJRBYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-17-7-3-4-10(9-17)11-8-16-14-13(11)12(18-2)5-6-15-14/h4-6,8H,3,7,9H2,1-2H3,(H,15,16).
What are the key properties of 4-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine?
4-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 243.31 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 168941538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).