5-methoxy-3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridine

C14H19N3O — CID 10198756

IUPAC5-methoxy-3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridine
SMILESCOc1ccc2[nH]cc(C3CCN(C)CC3)c2n1
InChIInChI=1S/C14H19N3O/c1-17-7-5-10(6-8-17)11-9-15-12-3-4-13(18-2)16-14(11)12/h3-4,9-10,15H,5-8H2,1-2H3
InChIKeyQKCLEYVZSSGGTD-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.38
Rot. Bonds2

About 5-methoxy-3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridine

5-methoxy-3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridine (PubChem CID 10198756) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 5-methoxy-3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name5-methoxy-3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridine
PubChem CID10198756
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name5-methoxy-3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridine
SMILESCOc1ccc2[nH]cc(C3CCN(C)CC3)c2n1
InChIInChI=1S/C14H19N3O/c1-17-7-5-10(6-8-17)11-9-15-12-3-4-13(18-2)16-14(11)12/h3-4,9-10,15H,5-8H2,1-2H3
InChIKeyQKCLEYVZSSGGTD-UHFFFAOYSA-N
XLogP2.38
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 1832
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Harmine Hydrochloride
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5-Methoxy-N,N-dimethyl-1H-indole-3-methanamine
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6-Methoxy-1-methyl-9H-pyrido(3,4-b)indole
CID 5376026
Indole, 3-(3-amino-2-propyl)-5-methoxy-
CID 30241
4-Azamelatonin
CID 21581654
3-(1,2,5,6-Tetrahydro-4-pyridyl)-5-propoxypyrrolo(3,2-b)pyridine
CID 4029677
Indole, 5-methoxy-3-(4-piperidylmethyl)-
CID 19027
3-Ethoxy-beta-carboline
CID 124477
3-Isopropoxy-9H-beta-carboline
CID 4713435

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 5-methoxy-3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridine (CID 10198756) is 5-methoxy-3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 5-methoxy-3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 5-methoxy-3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridine is COc1ccc2[nH]cc(C3CCN(C)CC3)c2n1.
What is the InChIKey of 5-methoxy-3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is QKCLEYVZSSGGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-17-7-5-10(6-8-17)11-9-15-12-3-4-13(18-2)16-14(11)12/h3-4,9-10,15H,5-8H2,1-2H3.
What are the key properties of 5-methoxy-3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridine?
5-methoxy-3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 245.33 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 10198756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).