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

C21H16N6O — CID 159511257

IUPAC5-methyl-3-[2-[1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridin-6-yl]-4-pyridinyl]-1,2,4-oxadiazole
SMILESCc1nc(-c2ccnc(-c3cc4c(ccn4Cc4ccccn4)cn3)c2)no1
InChIInChI=1S/C21H16N6O/c1-14-25-21(26-28-14)15-5-8-23-18(10-15)19-11-20-16(12-24-19)6-9-27(20)13-17-4-2-3-7-22-17/h2-12H,13H2,1H3
InChIKeyMAQBBIMOMFJPEG-UHFFFAOYSA-N
MW368.40 g/mol
LogP3.90
Rot. Bonds4

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

5-methyl-3-[2-[1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridin-6-yl]-4-pyridinyl]-1,2,4-oxadiazole (PubChem CID 159511257) has the molecular formula C21H16N6O and a molecular weight of 368.40 g/mol. Its IUPAC name is 5-methyl-3-[2-[1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridin-6-yl]-4-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[2-[1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridin-6-yl]-4-pyridinyl]-1,2,4-oxadiazole
PubChem CID159511257
Molecular FormulaC21H16N6O
Molecular Weight368.40 g/mol
Exact Mass368.14
IUPAC Name5-methyl-3-[2-[1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridin-6-yl]-4-pyridinyl]-1,2,4-oxadiazole
SMILESCc1nc(-c2ccnc(-c3cc4c(ccn4Cc4ccccn4)cn3)c2)no1
InChIInChI=1S/C21H16N6O/c1-14-25-21(26-28-14)15-5-8-23-18(10-15)19-11-20-16(12-24-19)6-9-27(20)13-17-4-2-3-7-22-17/h2-12H,13H2,1H3
InChIKeyMAQBBIMOMFJPEG-UHFFFAOYSA-N
XLogP3.90
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[2-[1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridin-6-yl]-4-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-[2-[1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridin-6-yl]-4-pyridinyl]-1,2,4-oxadiazole (CID 159511257) is 5-methyl-3-[2-[1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridin-6-yl]-4-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[2-[1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridin-6-yl]-4-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[2-[1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridin-6-yl]-4-pyridinyl]-1,2,4-oxadiazole is Cc1nc(-c2ccnc(-c3cc4c(ccn4Cc4ccccn4)cn3)c2)no1.
What is the InChIKey of 5-methyl-3-[2-[1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridin-6-yl]-4-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is MAQBBIMOMFJPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6O/c1-14-25-21(26-28-14)15-5-8-23-18(10-15)19-11-20-16(12-24-19)6-9-27(20)13-17-4-2-3-7-22-17/h2-12H,13H2,1H3.
What are the key properties of 5-methyl-3-[2-[1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridin-6-yl]-4-pyridinyl]-1,2,4-oxadiazole?
5-methyl-3-[2-[1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridin-6-yl]-4-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 368.40 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[2-[1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridin-6-yl]-4-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 159511257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).