6-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]triazol-4-yl]-1H-pyrrolo[3,2-b]pyridine

C17H16N6O2 — CID 167819900

IUPAC6-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]triazol-4-yl]-1H-pyrrolo[3,2-b]pyridine
SMILESCOc1ccnc(Cn2cc(-c3cnc4cc[nH]c4c3)nn2)c1OC
InChIInChI=1S/C17H16N6O2/c1-24-16-4-6-19-15(17(16)25-2)10-23-9-14(21-22-23)11-7-13-12(20-8-11)3-5-18-13/h3-9,18H,10H2,1-2H3
InChIKeyINQYCOJNPLPENR-UHFFFAOYSA-N
MW336.36 g/mol
LogP2.28
Rot. Bonds5

About 6-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]triazol-4-yl]-1H-pyrrolo[3,2-b]pyridine

6-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]triazol-4-yl]-1H-pyrrolo[3,2-b]pyridine (PubChem CID 167819900) has the molecular formula C17H16N6O2 and a molecular weight of 336.36 g/mol. Its IUPAC name is 6-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]triazol-4-yl]-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name6-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]triazol-4-yl]-1H-pyrrolo[3,2-b]pyridine
PubChem CID167819900
Molecular FormulaC17H16N6O2
Molecular Weight336.36 g/mol
Exact Mass336.13
IUPAC Name6-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]triazol-4-yl]-1H-pyrrolo[3,2-b]pyridine
SMILESCOc1ccnc(Cn2cc(-c3cnc4cc[nH]c4c3)nn2)c1OC
InChIInChI=1S/C17H16N6O2/c1-24-16-4-6-19-15(17(16)25-2)10-23-9-14(21-22-23)11-7-13-12(20-8-11)3-5-18-13/h3-9,18H,10H2,1-2H3
InChIKeyINQYCOJNPLPENR-UHFFFAOYSA-N
XLogP2.28
TPSA90.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]triazol-4-yl]-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 6-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]triazol-4-yl]-1H-pyrrolo[3,2-b]pyridine (CID 167819900) is 6-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]triazol-4-yl]-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 6-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]triazol-4-yl]-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 6-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]triazol-4-yl]-1H-pyrrolo[3,2-b]pyridine is COc1ccnc(Cn2cc(-c3cnc4cc[nH]c4c3)nn2)c1OC.
What is the InChIKey of 6-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]triazol-4-yl]-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is INQYCOJNPLPENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2/c1-24-16-4-6-19-15(17(16)25-2)10-23-9-14(21-22-23)11-7-13-12(20-8-11)3-5-18-13/h3-9,18H,10H2,1-2H3.
What are the key properties of 6-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]triazol-4-yl]-1H-pyrrolo[3,2-b]pyridine?
6-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]triazol-4-yl]-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 336.36 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]triazol-4-yl]-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 167819900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).