1,3-dimethyl-N-[2-(3-methylphenoxy)ethyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C21H26N4O2 — CID 30375860

IUPAC1,3-dimethyl-N-[2-(3-methylphenoxy)ethyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cccc(OCCNC(=O)c2cc(C(C)C)nc3c2c(C)nn3C)c1
InChIInChI=1S/C21H26N4O2/c1-13(2)18-12-17(19-15(4)24-25(5)20(19)23-18)21(26)22-9-10-27-16-8-6-7-14(3)11-16/h6-8,11-13H,9-10H2,1-5H3,(H,22,26)
InChIKeyIWCAPGHKYDVERS-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.52
Rot. Bonds6

About 1,3-dimethyl-N-[2-(3-methylphenoxy)ethyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

1,3-dimethyl-N-[2-(3-methylphenoxy)ethyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 30375860) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 1,3-dimethyl-N-[2-(3-methylphenoxy)ethyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[2-(3-methylphenoxy)ethyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID30375860
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name1,3-dimethyl-N-[2-(3-methylphenoxy)ethyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cccc(OCCNC(=O)c2cc(C(C)C)nc3c2c(C)nn3C)c1
InChIInChI=1S/C21H26N4O2/c1-13(2)18-12-17(19-15(4)24-25(5)20(19)23-18)21(26)22-9-10-27-16-8-6-7-14(3)11-16/h6-8,11-13H,9-10H2,1-5H3,(H,22,26)
InChIKeyIWCAPGHKYDVERS-UHFFFAOYSA-N
XLogP3.52
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetamidopropyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 38452878
N-[2-(4-methoxyphenoxy)ethyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46442920
1,3-dimethyl-N-[3-(N-methylanilino)propyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 32613749
1,3-dimethyl-6-propan-2-yl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 38557450
1-tert-butyl-N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55801155
2-[(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]propanediamide
CID 56807591
N-(2-tert-butylphenyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 32951263
2,3-dihydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 114344196
1,3-dimethyl-N-(3-methylsulfonylphenyl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 33158849
N-(3-chloro-2-fluorophenyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 30386091
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46522573
1,3-dimethyl-6-propan-2-yl-N-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 51338496

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[2-(3-methylphenoxy)ethyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1,3-dimethyl-N-[2-(3-methylphenoxy)ethyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 30375860) is 1,3-dimethyl-N-[2-(3-methylphenoxy)ethyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-[2-(3-methylphenoxy)ethyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-[2-(3-methylphenoxy)ethyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1cccc(OCCNC(=O)c2cc(C(C)C)nc3c2c(C)nn3C)c1.
What is the InChIKey of 1,3-dimethyl-N-[2-(3-methylphenoxy)ethyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is IWCAPGHKYDVERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-13(2)18-12-17(19-15(4)24-25(5)20(19)23-18)21(26)22-9-10-27-16-8-6-7-14(3)11-16/h6-8,11-13H,9-10H2,1-5H3,(H,22,26).
What are the key properties of 1,3-dimethyl-N-[2-(3-methylphenoxy)ethyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
1,3-dimethyl-N-[2-(3-methylphenoxy)ethyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[2-(3-methylphenoxy)ethyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 30375860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).