4-(3-methoxyanilino)-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide

C22H21N5O3 — CID 11292588

IUPAC4-(3-methoxyanilino)-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCOc1ccc(-n2nc(C)c3c(Nc4cccc(OC)c4)c(C(N)=O)cnc32)cc1
InChIInChI=1S/C22H21N5O3/c1-13-19-20(25-14-5-4-6-17(11-14)30-3)18(21(23)28)12-24-22(19)27(26-13)15-7-9-16(29-2)10-8-15/h4-12H,1-3H3,(H2,23,28)(H,24,25)
InChIKeyZFICBMXGXPTMLR-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.59
Rot. Bonds6

About 4-(3-methoxyanilino)-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide

4-(3-methoxyanilino)-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 11292588) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is 4-(3-methoxyanilino)-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-(3-methoxyanilino)-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID11292588
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC Name4-(3-methoxyanilino)-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCOc1ccc(-n2nc(C)c3c(Nc4cccc(OC)c4)c(C(N)=O)cnc32)cc1
InChIInChI=1S/C22H21N5O3/c1-13-19-20(25-14-5-4-6-17(11-14)30-3)18(21(23)28)12-24-22(19)27(26-13)15-7-9-16(29-2)10-8-15/h4-12H,1-3H3,(H2,23,28)(H,24,25)
InChIKeyZFICBMXGXPTMLR-UHFFFAOYSA-N
XLogP3.59
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-chlorophenyl)-4-(3-methoxyanilino)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 11189006
1-(cyclopropylmethyl)-4-(3-methoxyanilino)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 139904934
4-(3-methoxyanilino)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 11437948
methyl (3S)-3-[3-[(5-carbamoyl-1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)amino]phenoxy]pyrrolidine-1-carboxylate
CID 10002457
4-(3-methoxyanilino)-6-(4-methoxyphenyl)sulfonyl-8-methylquinoline-3-carboxamide
CID 11225327
11-(3-methoxyphenyl)-5-(4-methoxyphenyl)-3-methyl-4,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraene-10,12-dione
CID 66506473
ethyl 4-(4-hydroxyanilino)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 11406597
4-(3-methoxyanilino)-7-methyl-6-methylsulfonylquinoline-3-carboxamide
CID 11269155
4-(3-ethylanilino)-7-methoxyquinoline-3-carboxamide
CID 174510815
N-(3,4-difluorophenyl)-4-[(4-methoxyphenyl)methylamino]-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 46382665
4-(3-methoxyanilino)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide
CID 59145704
4-chloro-1-(4-methoxyphenyl)-3-methyl-N-(3-methyl-2-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626977

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyanilino)-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-(3-methoxyanilino)-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 11292588) is 4-(3-methoxyanilino)-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-(3-methoxyanilino)-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-(3-methoxyanilino)-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide is COc1ccc(-n2nc(C)c3c(Nc4cccc(OC)c4)c(C(N)=O)cnc32)cc1.
What is the InChIKey of 4-(3-methoxyanilino)-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is ZFICBMXGXPTMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-13-19-20(25-14-5-4-6-17(11-14)30-3)18(21(23)28)12-24-22(19)27(26-13)15-7-9-16(29-2)10-8-15/h4-12H,1-3H3,(H2,23,28)(H,24,25).
What are the key properties of 4-(3-methoxyanilino)-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
4-(3-methoxyanilino)-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 403.44 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyanilino)-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 11292588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).