1,3-dimethyl-6-propan-2-yl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide

C23H30N4O2 — CID 38557450

IUPAC1,3-dimethyl-6-propan-2-yl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(C(C)C)cc(C(=O)NCc3ccccc3COC(C)C)c12
InChIInChI=1S/C23H30N4O2/c1-14(2)20-11-19(21-16(5)26-27(6)22(21)25-20)23(28)24-12-17-9-7-8-10-18(17)13-29-15(3)4/h7-11,14-15H,12-13H2,1-6H3,(H,24,28)
InChIKeyQLICIDLPAFJLQJ-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.26
Rot. Bonds7

About 1,3-dimethyl-6-propan-2-yl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide

1,3-dimethyl-6-propan-2-yl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 38557450) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1,3-dimethyl-6-propan-2-yl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-6-propan-2-yl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID38557450
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name1,3-dimethyl-6-propan-2-yl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(C(C)C)cc(C(=O)NCc3ccccc3COC(C)C)c12
InChIInChI=1S/C23H30N4O2/c1-14(2)20-11-19(21-16(5)26-27(6)22(21)25-20)23(28)24-12-17-9-7-8-10-18(17)13-29-15(3)4/h7-11,14-15H,12-13H2,1-6H3,(H,24,28)
InChIKeyQLICIDLPAFJLQJ-UHFFFAOYSA-N
XLogP4.26
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-tert-butylphenyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 32951263
1,3-dimethyl-N-[2-(3-methylphenoxy)ethyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 30375860
1,3-dimethyl-N-[3-(N-methylanilino)propyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 32613749
N-[[2-(methoxymethyl)phenyl]methyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78852990
N-[(2-methoxyphenyl)methyl]-N,1,3-trimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 30375494
N-(4-acetylphenyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 32758884
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46522573
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 42953821
2-[(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]propanediamide
CID 56807591
N-(1,3-benzodioxol-5-yl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 32686520
1,3-dimethyl-N-(3-methylsulfonylphenyl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 33158849

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-propan-2-yl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1,3-dimethyl-6-propan-2-yl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide (CID 38557450) is 1,3-dimethyl-6-propan-2-yl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-6-propan-2-yl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-6-propan-2-yl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(C(C)C)cc(C(=O)NCc3ccccc3COC(C)C)c12.
What is the InChIKey of 1,3-dimethyl-6-propan-2-yl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is QLICIDLPAFJLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-14(2)20-11-19(21-16(5)26-27(6)22(21)25-20)23(28)24-12-17-9-7-8-10-18(17)13-29-15(3)4/h7-11,14-15H,12-13H2,1-6H3,(H,24,28).
What are the key properties of 1,3-dimethyl-6-propan-2-yl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
1,3-dimethyl-6-propan-2-yl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-propan-2-yl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 38557450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).