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

C16H17N5O — CID 71930316

IUPAC3-methyl-5-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1noc(CN2CC=C(c3c[nH]c4ncccc34)CC2)n1
InChIInChI=1S/C16H17N5O/c1-11-19-15(22-20-11)10-21-7-4-12(5-8-21)14-9-18-16-13(14)3-2-6-17-16/h2-4,6,9H,5,7-8,10H2,1H3,(H,17,18)
InChIKeyDRSNGVSECKLDIU-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.54
Rot. Bonds3

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

3-methyl-5-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 71930316) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 3-methyl-5-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID71930316
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name3-methyl-5-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1noc(CN2CC=C(c3c[nH]c4ncccc34)CC2)n1
InChIInChI=1S/C16H17N5O/c1-11-19-15(22-20-11)10-21-7-4-12(5-8-21)14-9-18-16-13(14)3-2-6-17-16/h2-4,6,9H,5,7-8,10H2,1H3,(H,17,18)
InChIKeyDRSNGVSECKLDIU-UHFFFAOYSA-N
XLogP2.54
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,2,4-oxadiazole (CID 71930316) is 3-methyl-5-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,2,4-oxadiazole is Cc1noc(CN2CC=C(c3c[nH]c4ncccc34)CC2)n1.
What is the InChIKey of 3-methyl-5-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is DRSNGVSECKLDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-11-19-15(22-20-11)10-21-7-4-12(5-8-21)14-9-18-16-13(14)3-2-6-17-16/h2-4,6,9H,5,7-8,10H2,1H3,(H,17,18).
What are the key properties of 3-methyl-5-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,2,4-oxadiazole?
3-methyl-5-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 295.35 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 71930316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).