2-(furan-2-ylmethyl)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1,3-dioxoisoindole-5-carboxamide

C27H19N5O4 — CID 108730087

IUPAC2-(furan-2-ylmethyl)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1,3-dioxoisoindole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2ncc(NC(=O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)cc12
InChIInChI=1S/C27H19N5O4/c1-16-22-13-18(14-28-24(22)32(30-16)19-6-3-2-4-7-19)29-25(33)17-9-10-21-23(12-17)27(35)31(26(21)34)15-20-8-5-11-36-20/h2-14H,15H2,1H3,(H,29,33)
InChIKeyNCHMQDKVECSXBL-UHFFFAOYSA-N
MW477.48 g/mol
LogP4.37
Rot. Bonds5

About 2-(furan-2-ylmethyl)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1,3-dioxoisoindole-5-carboxamide

2-(furan-2-ylmethyl)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 108730087) has the molecular formula C27H19N5O4 and a molecular weight of 477.48 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-(furan-2-ylmethyl)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID108730087
Molecular FormulaC27H19N5O4
Molecular Weight477.48 g/mol
Exact Mass477.14
IUPAC Name2-(furan-2-ylmethyl)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1,3-dioxoisoindole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2ncc(NC(=O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)cc12
InChIInChI=1S/C27H19N5O4/c1-16-22-13-18(14-28-24(22)32(30-16)19-6-3-2-4-7-19)29-25(33)17-9-10-21-23(12-17)27(35)31(26(21)34)15-20-8-5-11-36-20/h2-14H,15H2,1H3,(H,29,33)
InChIKeyNCHMQDKVECSXBL-UHFFFAOYSA-N
XLogP4.37
TPSA110.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.48
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexyl-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1,3-dioxoisoindole-5-carboxamide
CID 108753753
4-fluoro-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 108753718
4-ethoxy-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 108753755
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 55481067
2-(furan-2-ylmethyl)-1,3-dioxo-N-[3-(pyridine-4-carbonylamino)phenyl]isoindole-5-carboxamide
CID 55610660
N-(3,5-dibromo-4-hydroxyphenyl)-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 17296237
N-(3,4-difluorophenyl)-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 26364452
N-(2,5-dimethylphenyl)-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 26909352
(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)urea
CID 139016323
2-(furan-2-ylmethyl)-1,3-dioxo-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]isoindole-5-carboxamide
CID 17361516
2-(furan-2-ylmethyl)-N-(4-nitrophenyl)-1,3-dioxoisoindole-5-carboxamide
CID 43025507
2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 887709

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethyl)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-(furan-2-ylmethyl)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1,3-dioxoisoindole-5-carboxamide (CID 108730087) is 2-(furan-2-ylmethyl)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-(furan-2-ylmethyl)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-(furan-2-ylmethyl)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1,3-dioxoisoindole-5-carboxamide is Cc1nn(-c2ccccc2)c2ncc(NC(=O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)cc12.
What is the InChIKey of 2-(furan-2-ylmethyl)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is NCHMQDKVECSXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N5O4/c1-16-22-13-18(14-28-24(22)32(30-16)19-6-3-2-4-7-19)29-25(33)17-9-10-21-23(12-17)27(35)31(26(21)34)15-20-8-5-11-36-20/h2-14H,15H2,1H3,(H,29,33).
What are the key properties of 2-(furan-2-ylmethyl)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1,3-dioxoisoindole-5-carboxamide?
2-(furan-2-ylmethyl)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 477.48 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyl)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 108730087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).