N-benzyl-4-chloro-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide

C16H15ClN4O — CID 59854949

IUPACN-benzyl-4-chloro-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCn1ncc2c(Cl)c(C(=O)NCc3ccccc3)cnc21
InChIInChI=1S/C16H15ClN4O/c1-2-21-15-12(10-20-21)14(17)13(9-18-15)16(22)19-8-11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3,(H,19,22)
InChIKeyXMPJSPBQIOJGNQ-UHFFFAOYSA-N
MW314.78 g/mol
LogP3.03
Rot. Bonds4

About N-benzyl-4-chloro-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide

N-benzyl-4-chloro-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 59854949) has the molecular formula C16H15ClN4O and a molecular weight of 314.78 g/mol. Its IUPAC name is N-benzyl-4-chloro-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-chloro-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID59854949
Molecular FormulaC16H15ClN4O
Molecular Weight314.78 g/mol
Exact Mass314.09
IUPAC NameN-benzyl-4-chloro-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCn1ncc2c(Cl)c(C(=O)NCc3ccccc3)cnc21
InChIInChI=1S/C16H15ClN4O/c1-2-21-15-12(10-20-21)14(17)13(9-18-15)16(22)19-8-11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3,(H,19,22)
InChIKeyXMPJSPBQIOJGNQ-UHFFFAOYSA-N
XLogP3.03
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.78
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-ethyl-4-[[(2S)-1-methoxybutan-2-yl]amino]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 142872842
N-benzyl-4-[[(1R)-1-cyclohexylethyl]amino]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 139920791
methyl 3-[[5-(benzylcarbamoyl)-1-ethylpyrazolo[3,4-b]pyridin-4-yl]amino]cyclohexane-1-carboxylate
CID 58629399
N-benzyl-1-ethyl-4-[(2-oxoazepan-3-yl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 58629456
4-chloro-1-ethyl-N-[(1R)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 58878091
4-[(4-carbamoylcyclohexyl)amino]-1-ethyl-N-[(3-phenylphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 11518896
4-[(1-acetylpiperidin-4-yl)amino]-1-ethyl-N-[(3-fluorophenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69006000
1-ethyl-4-(4-methoxybutylamino)-N-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 70238003
N-[(2,6-difluorophenyl)methyl]-1-ethyl-4-[[(2S)-3-methylbutan-2-yl]amino]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 11475104
4-[(3-chloro-4-methoxyphenyl)methylamino]-N-[[4-(dimethylamino)phenyl]methyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 18348812
N-[(1-benzylimidazol-2-yl)methyl]-1-ethyl-5-methylpyrazole-4-carboxamide
CID 50971928
N-[(4-cyanophenyl)methyl]-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69007349

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-chloro-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-benzyl-4-chloro-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 59854949) is N-benzyl-4-chloro-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-benzyl-4-chloro-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-benzyl-4-chloro-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide is CCn1ncc2c(Cl)c(C(=O)NCc3ccccc3)cnc21.
What is the InChIKey of N-benzyl-4-chloro-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is XMPJSPBQIOJGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O/c1-2-21-15-12(10-20-21)14(17)13(9-18-15)16(22)19-8-11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3,(H,19,22).
What are the key properties of N-benzyl-4-chloro-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide?
N-benzyl-4-chloro-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 314.78 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-chloro-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 59854949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).