1-[5-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-pyridinyl]cyclopropane-1-carbonitrile

C16H14N6O — CID 139372610

IUPAC1-[5-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-pyridinyl]cyclopropane-1-carbonitrile
SMILESCc1nc2nonc2c(N)c1Cc1ccc(C2(C#N)CC2)nc1
InChIInChI=1S/C16H14N6O/c1-9-11(13(18)14-15(20-9)22-23-21-14)6-10-2-3-12(19-7-10)16(8-17)4-5-16/h2-3,7H,4-6,18H2,1H3
InChIKeyORQNFDQJECLMAP-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.05
Rot. Bonds3

About 1-[5-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-pyridinyl]cyclopropane-1-carbonitrile

1-[5-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-pyridinyl]cyclopropane-1-carbonitrile (PubChem CID 139372610) has the molecular formula C16H14N6O and a molecular weight of 306.33 g/mol. Its IUPAC name is 1-[5-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-pyridinyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[5-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-pyridinyl]cyclopropane-1-carbonitrile
PubChem CID139372610
Molecular FormulaC16H14N6O
Molecular Weight306.33 g/mol
Exact Mass306.12
IUPAC Name1-[5-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-pyridinyl]cyclopropane-1-carbonitrile
SMILESCc1nc2nonc2c(N)c1Cc1ccc(C2(C#N)CC2)nc1
InChIInChI=1S/C16H14N6O/c1-9-11(13(18)14-15(20-9)22-23-21-14)6-10-2-3-12(19-7-10)16(8-17)4-5-16/h2-3,7H,4-6,18H2,1H3
InChIKeyORQNFDQJECLMAP-UHFFFAOYSA-N
XLogP2.05
TPSA114.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-pyridinyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[5-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-pyridinyl]cyclopropane-1-carbonitrile (CID 139372610) is 1-[5-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-pyridinyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[5-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-pyridinyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[5-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-pyridinyl]cyclopropane-1-carbonitrile is Cc1nc2nonc2c(N)c1Cc1ccc(C2(C#N)CC2)nc1.
What is the InChIKey of 1-[5-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-pyridinyl]cyclopropane-1-carbonitrile?
The InChIKey is ORQNFDQJECLMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O/c1-9-11(13(18)14-15(20-9)22-23-21-14)6-10-2-3-12(19-7-10)16(8-17)4-5-16/h2-3,7H,4-6,18H2,1H3.
What are the key properties of 1-[5-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-pyridinyl]cyclopropane-1-carbonitrile?
1-[5-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-pyridinyl]cyclopropane-1-carbonitrile has a molecular weight of 306.33 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-pyridinyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 139372610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).