N-(5-chloro-2-methoxyphenyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C23H23ClN4O3 — CID 46508151

IUPACN-(5-chloro-2-methoxyphenyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C
InChIInChI=1S/C23H23ClN4O3/c1-12(2)28-22-18(11-25-28)17(10-19(26-22)16-8-13(3)31-14(16)4)23(29)27-20-9-15(24)6-7-21(20)30-5/h6-12H,1-5H3,(H,27,29)
InChIKeyNJZHSOZFZBGJRQ-UHFFFAOYSA-N
MW438.92 g/mol
LogP5.80
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-(5-chloro-2-methoxyphenyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 46508151) has the molecular formula C23H23ClN4O3 and a molecular weight of 438.92 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID46508151
Molecular FormulaC23H23ClN4O3
Molecular Weight438.92 g/mol
Exact Mass438.15
IUPAC NameN-(5-chloro-2-methoxyphenyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C
InChIInChI=1S/C23H23ClN4O3/c1-12(2)28-22-18(11-25-28)17(10-19(26-22)16-8-13(3)31-14(16)4)23(29)27-20-9-15(24)6-7-21(20)30-5/h6-12H,1-5H3,(H,27,29)
InChIKeyNJZHSOZFZBGJRQ-UHFFFAOYSA-N
XLogP5.80
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.92
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chloro-4-fluorophenyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16591231
N-(2-aminoethyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119382405
6-(2,5-dimethylfuran-3-yl)-1-propan-2-yl-N-(2,4,6-trimethyl-3-pyridinyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 78859788
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24596747
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 55495388
6-(2,5-dimethylfuran-3-yl)-N-[2-(methylamino)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119500414
6-(2,5-dimethylfuran-3-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16591725
6-(2,5-dimethylfuran-3-yl)-N-(1-hydroxypropan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 78857387
N-(3-aminopropyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119405283
(4-cyano-2-methoxyphenyl) 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 18269151
N-butyl-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55485914
N-[4-(cyanomethyl)phenyl]-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55494613

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 46508151) is N-(5-chloro-2-methoxyphenyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is COc1ccc(Cl)cc1NC(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is NJZHSOZFZBGJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O3/c1-12(2)28-22-18(11-25-28)17(10-19(26-22)16-8-13(3)31-14(16)4)23(29)27-20-9-15(24)6-7-21(20)30-5/h6-12H,1-5H3,(H,27,29).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-(5-chloro-2-methoxyphenyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 438.92 g/mol, XLogP of 5.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 46508151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).