3-[2-(1,3-dimethylpyrrolo[3,2-c]pyridin-6-yl)-4-pyridinyl]-5-methyl-1,2,4-oxadiazole

C17H15N5O — CID 159277681

IUPAC3-[2-(1,3-dimethylpyrrolo[3,2-c]pyridin-6-yl)-4-pyridinyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(-c2ccnc(-c3cc4c(cn3)c(C)cn4C)c2)no1
InChIInChI=1S/C17H15N5O/c1-10-9-22(3)16-7-15(19-8-13(10)16)14-6-12(4-5-18-14)17-20-11(2)23-21-17/h4-9H,1-3H3
InChIKeyLHOUCUIJVOUPTR-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.30
Rot. Bonds2

About 3-[2-(1,3-dimethylpyrrolo[3,2-c]pyridin-6-yl)-4-pyridinyl]-5-methyl-1,2,4-oxadiazole

3-[2-(1,3-dimethylpyrrolo[3,2-c]pyridin-6-yl)-4-pyridinyl]-5-methyl-1,2,4-oxadiazole (PubChem CID 159277681) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 3-[2-(1,3-dimethylpyrrolo[3,2-c]pyridin-6-yl)-4-pyridinyl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-(1,3-dimethylpyrrolo[3,2-c]pyridin-6-yl)-4-pyridinyl]-5-methyl-1,2,4-oxadiazole
PubChem CID159277681
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name3-[2-(1,3-dimethylpyrrolo[3,2-c]pyridin-6-yl)-4-pyridinyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(-c2ccnc(-c3cc4c(cn3)c(C)cn4C)c2)no1
InChIInChI=1S/C17H15N5O/c1-10-9-22(3)16-7-15(19-8-13(10)16)14-6-12(4-5-18-14)17-20-11(2)23-21-17/h4-9H,1-3H3
InChIKeyLHOUCUIJVOUPTR-UHFFFAOYSA-N
XLogP3.30
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,3-dimethylpyrrolo[3,2-c]pyridin-6-yl)-4-pyridinyl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[2-(1,3-dimethylpyrrolo[3,2-c]pyridin-6-yl)-4-pyridinyl]-5-methyl-1,2,4-oxadiazole (CID 159277681) is 3-[2-(1,3-dimethylpyrrolo[3,2-c]pyridin-6-yl)-4-pyridinyl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-(1,3-dimethylpyrrolo[3,2-c]pyridin-6-yl)-4-pyridinyl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-(1,3-dimethylpyrrolo[3,2-c]pyridin-6-yl)-4-pyridinyl]-5-methyl-1,2,4-oxadiazole is Cc1nc(-c2ccnc(-c3cc4c(cn3)c(C)cn4C)c2)no1.
What is the InChIKey of 3-[2-(1,3-dimethylpyrrolo[3,2-c]pyridin-6-yl)-4-pyridinyl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is LHOUCUIJVOUPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c1-10-9-22(3)16-7-15(19-8-13(10)16)14-6-12(4-5-18-14)17-20-11(2)23-21-17/h4-9H,1-3H3.
What are the key properties of 3-[2-(1,3-dimethylpyrrolo[3,2-c]pyridin-6-yl)-4-pyridinyl]-5-methyl-1,2,4-oxadiazole?
3-[2-(1,3-dimethylpyrrolo[3,2-c]pyridin-6-yl)-4-pyridinyl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 305.34 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,3-dimethylpyrrolo[3,2-c]pyridin-6-yl)-4-pyridinyl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 159277681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).