N-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide

C16H16ClN5O2 — CID 154834046

IUPACN-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)NCCOc3cncc(Cl)c3)cc12
InChIInChI=1S/C16H16ClN5O2/c1-10-14-5-11(7-20-15(14)22(2)21-10)16(23)19-3-4-24-13-6-12(17)8-18-9-13/h5-9H,3-4H2,1-2H3,(H,19,23)
InChIKeyZSWWGVZMXVNONA-UHFFFAOYSA-N
MW345.79 g/mol
LogP2.13
Rot. Bonds5

About N-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide

N-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 154834046) has the molecular formula C16H16ClN5O2 and a molecular weight of 345.79 g/mol. Its IUPAC name is N-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID154834046
Molecular FormulaC16H16ClN5O2
Molecular Weight345.79 g/mol
Exact Mass345.10
IUPAC NameN-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)NCCOc3cncc(Cl)c3)cc12
InChIInChI=1S/C16H16ClN5O2/c1-10-14-5-11(7-20-15(14)22(2)21-10)16(23)19-3-4-24-13-6-12(17)8-18-9-13/h5-9H,3-4H2,1-2H3,(H,19,23)
InChIKeyZSWWGVZMXVNONA-UHFFFAOYSA-N
XLogP2.13
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethyl-N-[3-(methylamino)propyl]pyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride
CID 119430925
N-(3-hydroxy-2-methylpropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 65031981
1,3-dimethyl-N-(2-pyrrolidin-3-ylethyl)pyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride
CID 119534871
N-(2,3-dihydroxy-2-methylpropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 66168311
N-(3-amino-2-hydroxy-3-oxopropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 107362564
N-[(4-hydroxyphenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78845162
N-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 31327880
1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl chloride
CID 45081942
1,3-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 31337743
4-chloro-N-[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]-4-oxobutyl]benzamide
CID 134024922
N-(2-amino-2-oxoethoxy)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 112551049
2-[[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]methyl]-2-ethylbutanoic acid
CID 120533359

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide (CID 154834046) is N-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide is Cc1nn(C)c2ncc(C(=O)NCCOc3cncc(Cl)c3)cc12.
What is the InChIKey of N-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is ZSWWGVZMXVNONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O2/c1-10-14-5-11(7-20-15(14)22(2)21-10)16(23)19-3-4-24-13-6-12(17)8-18-9-13/h5-9H,3-4H2,1-2H3,(H,19,23).
What are the key properties of N-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
N-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 345.79 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 154834046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).