N-[(4-chlorophenyl)methyl]-1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide

C18H19ClN4O — CID 35522172

IUPACN-[(4-chlorophenyl)methyl]-1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCn1nc(C)c2c(C(=O)NCc3ccc(Cl)cc3)cc(C)nc21
InChIInChI=1S/C18H19ClN4O/c1-4-23-17-16(12(3)22-23)15(9-11(2)21-17)18(24)20-10-13-5-7-14(19)8-6-13/h5-9H,4,10H2,1-3H3,(H,20,24)
InChIKeyLDLWTKADZJBRAU-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.65
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide

N-[(4-chlorophenyl)methyl]-1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 35522172) has the molecular formula C18H19ClN4O and a molecular weight of 342.83 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID35522172
Molecular FormulaC18H19ClN4O
Molecular Weight342.83 g/mol
Exact Mass342.12
IUPAC NameN-[(4-chlorophenyl)methyl]-1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCn1nc(C)c2c(C(=O)NCc3ccc(Cl)cc3)cc(C)nc21
InChIInChI=1S/C18H19ClN4O/c1-4-23-17-16(12(3)22-23)15(9-11(2)21-17)18(24)20-10-13-5-7-14(19)8-6-13/h5-9H,4,10H2,1-3H3,(H,20,24)
InChIKeyLDLWTKADZJBRAU-UHFFFAOYSA-N
XLogP3.65
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3,6-dimethyl-N-propylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 35532740
1-benzyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44822451
N-[(3-chlorophenyl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 46514405
N-[[4-(dimethylamino)phenyl]methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16621872
N-(3,5-dichloro-2-pyridinyl)-1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 35533377
N-[2-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44822092
1-(4-ethylphenyl)-N-[(4-methoxyphenyl)methyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928125
1-ethyl-3,6-dimethyl-N-(1-propan-2-ylpyrazol-3-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 44822932
N-[(4-chlorophenyl)methyl]-4-[(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)methyl]benzamide
CID 20948443
1,3,6-trimethyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46456457
N,1-dibenzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44821533
1-butyl-N-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 19590099

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 35522172) is N-[(4-chlorophenyl)methyl]-1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide is CCn1nc(C)c2c(C(=O)NCc3ccc(Cl)cc3)cc(C)nc21.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is LDLWTKADZJBRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O/c1-4-23-17-16(12(3)22-23)15(9-11(2)21-17)18(24)20-10-13-5-7-14(19)8-6-13/h5-9H,4,10H2,1-3H3,(H,20,24).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-[(4-chlorophenyl)methyl]-1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 342.83 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 35522172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).