4-(4-methoxyphenoxy)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)butanamide

C24H24N4O3 — CID 108753832

IUPAC4-(4-methoxyphenoxy)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)butanamide
SMILESCOc1ccc(OCCCC(=O)Nc2cnc3c(c2)c(C)nn3-c2ccccc2)cc1
InChIInChI=1S/C24H24N4O3/c1-17-22-15-18(16-25-24(22)28(27-17)19-7-4-3-5-8-19)26-23(29)9-6-14-31-21-12-10-20(30-2)11-13-21/h3-5,7-8,10-13,15-16H,6,9,14H2,1-2H3,(H,26,29)
InChIKeyHKKCHGUWLCJIPN-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.54
Rot. Bonds8

About 4-(4-methoxyphenoxy)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)butanamide

4-(4-methoxyphenoxy)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)butanamide (PubChem CID 108753832) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 4-(4-methoxyphenoxy)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)butanamide.

Molecular Properties

Compound Name4-(4-methoxyphenoxy)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)butanamide
PubChem CID108753832
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name4-(4-methoxyphenoxy)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)butanamide
SMILESCOc1ccc(OCCCC(=O)Nc2cnc3c(c2)c(C)nn3-c2ccccc2)cc1
InChIInChI=1S/C24H24N4O3/c1-17-22-15-18(16-25-24(22)28(27-17)19-7-4-3-5-8-19)26-23(29)9-6-14-31-21-12-10-20(30-2)11-13-21/h3-5,7-8,10-13,15-16H,6,9,14H2,1-2H3,(H,26,29)
InChIKeyHKKCHGUWLCJIPN-UHFFFAOYSA-N
XLogP4.54
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-4-naphthalen-2-yloxybutanamide
CID 108753826
4-(4-tert-butylphenoxy)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)butanamide
CID 108753823
N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)octadecanamide
CID 108730069
(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)urea
CID 139016323
N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide
CID 139018825
4-methoxy-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzenesulfonamide
CID 108780976
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(4-methoxyphenoxy)acetamide
CID 18151329
(E)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 108753787
4-fluoro-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 108753718
2,4-dichloro-N-[2-[(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)amino]-2-oxoethyl]benzamide
CID 108753739
5-methyl-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1-phenylpyrazole-4-carboxamide
CID 108730123
3-hydroxy-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)cyclobutane-1-carboxamide
CID 136587863

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenoxy)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)butanamide?
The IUPAC name of 4-(4-methoxyphenoxy)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)butanamide (CID 108753832) is 4-(4-methoxyphenoxy)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)butanamide.
What is the SMILES notation for 4-(4-methoxyphenoxy)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)butanamide?
The canonical SMILES for 4-(4-methoxyphenoxy)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)butanamide is COc1ccc(OCCCC(=O)Nc2cnc3c(c2)c(C)nn3-c2ccccc2)cc1.
What is the InChIKey of 4-(4-methoxyphenoxy)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)butanamide?
The InChIKey is HKKCHGUWLCJIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-17-22-15-18(16-25-24(22)28(27-17)19-7-4-3-5-8-19)26-23(29)9-6-14-31-21-12-10-20(30-2)11-13-21/h3-5,7-8,10-13,15-16H,6,9,14H2,1-2H3,(H,26,29).
What are the key properties of 4-(4-methoxyphenoxy)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)butanamide?
4-(4-methoxyphenoxy)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)butanamide has a molecular weight of 416.48 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenoxy)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)butanamide is sourced from PubChem (CID 108753832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).