1-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile

C16H15N5O — CID 132984357

IUPAC1-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile
SMILESN#CC1(c2nc(Cc3c[nH]c4ncccc34)no2)CCCC1
InChIInChI=1S/C16H15N5O/c17-10-16(5-1-2-6-16)15-20-13(21-22-15)8-11-9-19-14-12(11)4-3-7-18-14/h3-4,7,9H,1-2,5-6,8H2,(H,18,19)
InChIKeyRVWHXGIMHOTTBK-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.87
Rot. Bonds3

About 1-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile

1-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile (PubChem CID 132984357) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile
PubChem CID132984357
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name1-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile
SMILESN#CC1(c2nc(Cc3c[nH]c4ncccc34)no2)CCCC1
InChIInChI=1S/C16H15N5O/c17-10-16(5-1-2-6-16)15-20-13(21-22-15)8-11-9-19-14-12(11)4-3-7-18-14/h3-4,7,9H,1-2,5-6,8H2,(H,18,19)
InChIKeyRVWHXGIMHOTTBK-UHFFFAOYSA-N
XLogP2.87
TPSA91.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile (CID 132984357) is 1-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile is N#CC1(c2nc(Cc3c[nH]c4ncccc34)no2)CCCC1.
What is the InChIKey of 1-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile?
The InChIKey is RVWHXGIMHOTTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c17-10-16(5-1-2-6-16)15-20-13(21-22-15)8-11-9-19-14-12(11)4-3-7-18-14/h3-4,7,9H,1-2,5-6,8H2,(H,18,19).
What are the key properties of 1-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile?
1-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile has a molecular weight of 293.33 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 132984357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).