N-[(3-chlorophenyl)methyl]-N,1,3-trimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C20H23ClN4O — CID 46537183

IUPACN-[(3-chlorophenyl)methyl]-N,1,3-trimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(C(C)C)cc(C(=O)N(C)Cc3cccc(Cl)c3)c12
InChIInChI=1S/C20H23ClN4O/c1-12(2)17-10-16(18-13(3)23-25(5)19(18)22-17)20(26)24(4)11-14-7-6-8-15(21)9-14/h6-10,12H,11H2,1-5H3
InChIKeyFOELKZXHWVYWQT-UHFFFAOYSA-N
MW370.88 g/mol
LogP4.33
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-N,1,3-trimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[(3-chlorophenyl)methyl]-N,1,3-trimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 46537183) has the molecular formula C20H23ClN4O and a molecular weight of 370.88 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N,1,3-trimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N,1,3-trimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID46537183
Molecular FormulaC20H23ClN4O
Molecular Weight370.88 g/mol
Exact Mass370.16
IUPAC NameN-[(3-chlorophenyl)methyl]-N,1,3-trimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(C(C)C)cc(C(=O)N(C)Cc3cccc(Cl)c3)c12
InChIInChI=1S/C20H23ClN4O/c1-12(2)17-10-16(18-13(3)23-25(5)19(18)22-17)20(26)24(4)11-14-7-6-8-15(21)9-14/h6-10,12H,11H2,1-5H3
InChIKeyFOELKZXHWVYWQT-UHFFFAOYSA-N
XLogP4.33
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chlorophenyl)methyl]-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78831602
N-[(2-methoxyphenyl)methyl]-N,1,3-trimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 30375494
N,1,3-trimethyl-N-[(1S)-1-phenylethyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 32909140
N-[(3-chlorophenyl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 46514405
N-(3-chloro-2-fluorophenyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 30386091
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 25468173
1,3-dimethyl-N-[3-(N-methylanilino)propyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 32613749
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 42953821
N-[(3-chlorophenyl)methyl]-N,2,3-trimethylquinoxaline-6-carboxamide
CID 39966358
N,1,3-trimethyl-N-[(4-methylsulfanylphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 26021949
N-(3-acetamidopropyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 38452878
N-(2-tert-butylphenyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 32951263

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N,1,3-trimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N,1,3-trimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 46537183) is N-[(3-chlorophenyl)methyl]-N,1,3-trimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N,1,3-trimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N,1,3-trimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(C(C)C)cc(C(=O)N(C)Cc3cccc(Cl)c3)c12.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N,1,3-trimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is FOELKZXHWVYWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O/c1-12(2)17-10-16(18-13(3)23-25(5)19(18)22-17)20(26)24(4)11-14-7-6-8-15(21)9-14/h6-10,12H,11H2,1-5H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-N,1,3-trimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[(3-chlorophenyl)methyl]-N,1,3-trimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 370.88 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N,1,3-trimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 46537183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).