4-chloro-1-ethyl-N-[(1R)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide

C18H19ClN4O — CID 58878091

IUPAC4-chloro-1-ethyl-N-[(1R)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCn1ncc2c(Cl)c(C(=O)N[C@H](C)c3ccc(C)cc3)cnc21
InChIInChI=1S/C18H19ClN4O/c1-4-23-17-14(10-21-23)16(19)15(9-20-17)18(24)22-12(3)13-7-5-11(2)6-8-13/h5-10,12H,4H2,1-3H3,(H,22,24)/t12-/m1/s1
InChIKeyOESFPGPYGJKHSS-GFCCVEGCSA-N
MW342.83 g/mol
LogP3.90
Rot. Bonds4

About 4-chloro-1-ethyl-N-[(1R)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide

4-chloro-1-ethyl-N-[(1R)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 58878091) has the molecular formula C18H19ClN4O and a molecular weight of 342.83 g/mol. Its IUPAC name is 4-chloro-1-ethyl-N-[(1R)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-ethyl-N-[(1R)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID58878091
Molecular FormulaC18H19ClN4O
Molecular Weight342.83 g/mol
Exact Mass342.12
IUPAC Name4-chloro-1-ethyl-N-[(1R)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCn1ncc2c(Cl)c(C(=O)N[C@H](C)c3ccc(C)cc3)cnc21
InChIInChI=1S/C18H19ClN4O/c1-4-23-17-14(10-21-23)16(19)15(9-20-17)18(24)22-12(3)13-7-5-11(2)6-8-13/h5-10,12H,4H2,1-3H3,(H,22,24)/t12-/m1/s1
InChIKeyOESFPGPYGJKHSS-GFCCVEGCSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 11430270
N-benzyl-4-chloro-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 59854949
4-(cyclohexylamino)-1-ethyl-N-(1-phenylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69247480
4-(cyclohexylamino)-N-[1-(4-ethoxyphenyl)ethyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 69247796
1-ethyl-4-[(4-oxocyclohexyl)amino]-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69247432
N-[1-(4-ethoxyphenyl)ethyl]-1-ethyl-4-[(4-hydroxyiminocyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 87751041
1-ethyl-5-methyl-N-[1-(4-methylphenyl)propyl]pyrazole-4-carboxamide
CID 19280747
4-chloro-1-ethyl-5-methylpyrazolo[3,4-b]pyridine
CID 89190838
N-[1-(4-chlorophenyl)propyl]-4-(cyclohexylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 69247510
2-chloro-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 60737127
2,4-dichloro-N-[1-(4-methylphenyl)ethyl]benzamide
CID 43915384
N-[1-(2,4-dimethylphenyl)ethyl]-1-ethyl-4-[(4-hydroxyiminocyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 87751191

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-N-[(1R)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-chloro-1-ethyl-N-[(1R)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide (CID 58878091) is 4-chloro-1-ethyl-N-[(1R)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-chloro-1-ethyl-N-[(1R)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-chloro-1-ethyl-N-[(1R)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide is CCn1ncc2c(Cl)c(C(=O)N[C@H](C)c3ccc(C)cc3)cnc21.
What is the InChIKey of 4-chloro-1-ethyl-N-[(1R)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is OESFPGPYGJKHSS-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19ClN4O/c1-4-23-17-14(10-21-23)16(19)15(9-20-17)18(24)22-12(3)13-7-5-11(2)6-8-13/h5-10,12H,4H2,1-3H3,(H,22,24)/t12-/m1/s1.
What are the key properties of 4-chloro-1-ethyl-N-[(1R)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
4-chloro-1-ethyl-N-[(1R)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 342.83 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-N-[(1R)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 58878091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).