1-methyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pyrazolo[4,5-b]pyridine-6-carboxamide

C13H14N6O3 — CID 157018704

IUPAC1-methyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pyrazolo[4,5-b]pyridine-6-carboxamide
SMILESCc1nonc1OCCNC(=O)c1cnc2cnn(C)c2c1
InChIInChI=1S/C13H14N6O3/c1-8-13(18-22-17-8)21-4-3-14-12(20)9-5-11-10(15-6-9)7-16-19(11)2/h5-7H,3-4H2,1-2H3,(H,14,20)
InChIKeyTUBQKSDSRFLECN-UHFFFAOYSA-N
MW302.29 g/mol
LogP0.47
Rot. Bonds5

About 1-methyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pyrazolo[4,5-b]pyridine-6-carboxamide

1-methyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pyrazolo[4,5-b]pyridine-6-carboxamide (PubChem CID 157018704) has the molecular formula C13H14N6O3 and a molecular weight of 302.29 g/mol. Its IUPAC name is 1-methyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pyrazolo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pyrazolo[4,5-b]pyridine-6-carboxamide
PubChem CID157018704
Molecular FormulaC13H14N6O3
Molecular Weight302.29 g/mol
Exact Mass302.11
IUPAC Name1-methyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pyrazolo[4,5-b]pyridine-6-carboxamide
SMILESCc1nonc1OCCNC(=O)c1cnc2cnn(C)c2c1
InChIInChI=1S/C13H14N6O3/c1-8-13(18-22-17-8)21-4-3-14-12(20)9-5-11-10(15-6-9)7-16-19(11)2/h5-7H,3-4H2,1-2H3,(H,14,20)
InChIKeyTUBQKSDSRFLECN-UHFFFAOYSA-N
XLogP0.47
TPSA107.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[(1-methylpyrazolo[4,5-b]pyridine-6-carbonyl)amino]butanoate
CID 156583875
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CID 70736184
N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 90650767
4-(2,4-dioxoimidazolidin-1-yl)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]benzamide
CID 72852410
N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pyrazolo[1,5-a]pyridine-7-carboxamide
CID 56899511
N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]isoquinoline-1-carboxamide
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2-indazol-1-yl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]acetamide
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CID 77082153
3-fluoro-7-methyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 119073719
2,7,8-trimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]quinoline-4-carboxamide
CID 70788382
N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-3-(1-methylpiperidin-2-yl)propanamide
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(1R)-2,2-dimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]cyclopropane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pyrazolo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 1-methyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pyrazolo[4,5-b]pyridine-6-carboxamide (CID 157018704) is 1-methyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pyrazolo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pyrazolo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 1-methyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pyrazolo[4,5-b]pyridine-6-carboxamide is Cc1nonc1OCCNC(=O)c1cnc2cnn(C)c2c1.
What is the InChIKey of 1-methyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pyrazolo[4,5-b]pyridine-6-carboxamide?
The InChIKey is TUBQKSDSRFLECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O3/c1-8-13(18-22-17-8)21-4-3-14-12(20)9-5-11-10(15-6-9)7-16-19(11)2/h5-7H,3-4H2,1-2H3,(H,14,20).
What are the key properties of 1-methyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pyrazolo[4,5-b]pyridine-6-carboxamide?
1-methyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pyrazolo[4,5-b]pyridine-6-carboxamide has a molecular weight of 302.29 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pyrazolo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 157018704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).