2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-[1-(4-pyrrol-1-ylphenyl)ethyl]acetamide

C25H23N5O2 — CID 19482204

IUPAC2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-[1-(4-pyrrol-1-ylphenyl)ethyl]acetamide
SMILESCc1nn(CC(=O)NC(C)c2ccc(-n3cccc3)cc2)c2nccc(-c3ccco3)c12
InChIInChI=1S/C25H23N5O2/c1-17(19-7-9-20(10-8-19)29-13-3-4-14-29)27-23(31)16-30-25-24(18(2)28-30)21(11-12-26-25)22-6-5-15-32-22/h3-15,17H,16H2,1-2H3,(H,27,31)
InChIKeyZNMJPXVVGDKOGC-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.67
Rot. Bonds6

About 2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-[1-(4-pyrrol-1-ylphenyl)ethyl]acetamide

2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-[1-(4-pyrrol-1-ylphenyl)ethyl]acetamide (PubChem CID 19482204) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is 2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-[1-(4-pyrrol-1-ylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-[1-(4-pyrrol-1-ylphenyl)ethyl]acetamide
PubChem CID19482204
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC Name2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-[1-(4-pyrrol-1-ylphenyl)ethyl]acetamide
SMILESCc1nn(CC(=O)NC(C)c2ccc(-n3cccc3)cc2)c2nccc(-c3ccco3)c12
InChIInChI=1S/C25H23N5O2/c1-17(19-7-9-20(10-8-19)29-13-3-4-14-29)27-23(31)16-30-25-24(18(2)28-30)21(11-12-26-25)22-6-5-15-32-22/h3-15,17H,16H2,1-2H3,(H,27,31)
InChIKeyZNMJPXVVGDKOGC-UHFFFAOYSA-N
XLogP4.67
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-methoxyphenyl)ethyl]-2-[4-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19506042
2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide
CID 19482039
2-[4-(difluoromethyl)-3,6-dimethylpyrazolo[3,4-b]pyridin-1-yl]-N-[1-(4-pyrrol-1-ylphenyl)ethyl]acetamide
CID 19497436
N-(2,4-dimethylphenyl)-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19482009
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19482232
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19482027
N-[1-(4-tert-butylphenyl)ethyl]-2-[4-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19506082
N-(2,6-dibromo-4-fluorophenyl)-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19482057
2-[2-oxo-2-[1-(4-pyrrol-1-ylphenyl)ethylamino]ethyl]pyrazole-3-carboxylic acid
CID 19485587
2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 19482077
N-(1-adamantylmethyl)-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19482179
2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-[5-methyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 19482266

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-[1-(4-pyrrol-1-ylphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-[1-(4-pyrrol-1-ylphenyl)ethyl]acetamide (CID 19482204) is 2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-[1-(4-pyrrol-1-ylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-[1-(4-pyrrol-1-ylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-[1-(4-pyrrol-1-ylphenyl)ethyl]acetamide is Cc1nn(CC(=O)NC(C)c2ccc(-n3cccc3)cc2)c2nccc(-c3ccco3)c12.
What is the InChIKey of 2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-[1-(4-pyrrol-1-ylphenyl)ethyl]acetamide?
The InChIKey is ZNMJPXVVGDKOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c1-17(19-7-9-20(10-8-19)29-13-3-4-14-29)27-23(31)16-30-25-24(18(2)28-30)21(11-12-26-25)22-6-5-15-32-22/h3-15,17H,16H2,1-2H3,(H,27,31).
What are the key properties of 2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-[1-(4-pyrrol-1-ylphenyl)ethyl]acetamide?
2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-[1-(4-pyrrol-1-ylphenyl)ethyl]acetamide has a molecular weight of 425.49 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-[1-(4-pyrrol-1-ylphenyl)ethyl]acetamide is sourced from PubChem (CID 19482204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).