[1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-5-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone

C25H24N4O3 — CID 112835749

IUPAC[1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-5-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCOc1ccc(Cn2ncc3cc(C(=O)N4CCc5cccc(C)c54)cnc32)c(OC)c1
InChIInChI=1S/C25H24N4O3/c1-16-5-4-6-17-9-10-28(23(16)17)25(30)20-11-19-14-27-29(24(19)26-13-20)15-18-7-8-21(31-2)12-22(18)32-3/h4-8,11-14H,9-10,15H2,1-3H3
InChIKeyNSGJIAIQWMLOKJ-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.01
Rot. Bonds5

About [1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-5-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone

[1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-5-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 112835749) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is [1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-5-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-5-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID112835749
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name[1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-5-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCOc1ccc(Cn2ncc3cc(C(=O)N4CCc5cccc(C)c54)cnc32)c(OC)c1
InChIInChI=1S/C25H24N4O3/c1-16-5-4-6-17-9-10-28(23(16)17)25(30)20-11-19-14-27-29(24(19)26-13-20)15-18-7-8-21(31-2)12-22(18)32-3/h4-8,11-14H,9-10,15H2,1-3H3
InChIKeyNSGJIAIQWMLOKJ-UHFFFAOYSA-N
XLogP4.01
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-5-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78862511
(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 78836996
N,1-bis[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 55632444
2-[[1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carbonyl]-ethylamino]acetic acid
CID 120519814
[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-5-yl]methanone
CID 124611573
1-[(2,4-dimethoxyphenyl)methyl]-N-(2-fluorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 55631434
N-cycloheptyl-1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 46410868
1-[(2,4-dimethoxyphenyl)methyl]-N-ethyl-N-(2-ethylbutyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 39482906
1-[(2,4-dimethoxyphenyl)methyl]-N-(4-methoxybutyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 55724733
N-(1-amino-2-methylpropan-2-yl)-1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 119523052
1-[(2,4-dimethoxyphenyl)methyl]-N-(4-propan-2-yloxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 55796905
N-(4-chloro-2,5-dimethoxyphenyl)-1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 46409802

Frequently Asked Questions

What is the IUPAC name of [1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-5-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-5-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone (CID 112835749) is [1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-5-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-5-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-5-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone is COc1ccc(Cn2ncc3cc(C(=O)N4CCc5cccc(C)c54)cnc32)c(OC)c1.
What is the InChIKey of [1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-5-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is NSGJIAIQWMLOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-16-5-4-6-17-9-10-28(23(16)17)25(30)20-11-19-14-27-29(24(19)26-13-20)15-18-7-8-21(31-2)12-22(18)32-3/h4-8,11-14H,9-10,15H2,1-3H3.
What are the key properties of [1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-5-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone?
[1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-5-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 428.49 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-5-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 112835749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).