2-(furan-2-ylmethyl)-1,3-dioxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]isoindole-5-carboxamide

C23H17N5O4 — CID 38432437

IUPAC2-(furan-2-ylmethyl)-1,3-dioxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]isoindole-5-carboxamide
SMILESO=C(NCc1cccnc1-n1cccn1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O
InChIInChI=1S/C23H17N5O4/c29-21(25-13-16-4-1-8-24-20(16)28-10-3-9-26-28)15-6-7-18-19(12-15)23(31)27(22(18)30)14-17-5-2-11-32-17/h1-12H,13-14H2,(H,25,29)
InChIKeyBGGBRWYXODEXBD-UHFFFAOYSA-N
MW427.42 g/mol
LogP2.59
Rot. Bonds6

About 2-(furan-2-ylmethyl)-1,3-dioxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]isoindole-5-carboxamide

2-(furan-2-ylmethyl)-1,3-dioxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]isoindole-5-carboxamide (PubChem CID 38432437) has the molecular formula C23H17N5O4 and a molecular weight of 427.42 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)-1,3-dioxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]isoindole-5-carboxamide.

Molecular Properties

Compound Name2-(furan-2-ylmethyl)-1,3-dioxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]isoindole-5-carboxamide
PubChem CID38432437
Molecular FormulaC23H17N5O4
Molecular Weight427.42 g/mol
Exact Mass427.13
IUPAC Name2-(furan-2-ylmethyl)-1,3-dioxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]isoindole-5-carboxamide
SMILESO=C(NCc1cccnc1-n1cccn1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O
InChIInChI=1S/C23H17N5O4/c29-21(25-13-16-4-1-8-24-20(16)28-10-3-9-26-28)15-6-7-18-19(12-15)23(31)27(22(18)30)14-17-5-2-11-32-17/h1-12H,13-14H2,(H,25,29)
InChIKeyBGGBRWYXODEXBD-UHFFFAOYSA-N
XLogP2.59
TPSA110.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.42
LogP ≤ 52.59
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

4-[2-[7-amino-4-(furan-2-yl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]-N-(2-aminophenyl)benzamide
CID 166633598
4-(Furan-2-yl)-10-[2-(4-pyridin-3-ylphenyl)ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
CID 21363898
4-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-N-(3-imidazol-1-yl-propyl)-benzamide
CID 44403150
N-(3-(3-(5-(pyrrolidin-1-ylmethyl)furan-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 46880228
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(5-methylfuran-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67500634
[5-(4-Fluorophenyl)furan-2-yl]methyl-[(2-pyrazol-1-ylpyridin-3-yl)methyl]azanium
CID 38052390
N-(furan-2-ylmethyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1113907
N-(furan-2-ylmethyl)-5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 5103720
N-[4-(furan-2-yl)-11-(3-phenylpropyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-2-naphthalen-1-ylacetamide
CID 10007115
N-[4-(furan-2-yl)-11-(3-methylbutyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-2-naphthalen-1-ylacetamide
CID 10906943
N-[4-(furan-2-yl)-11-(2-phenylethyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-2-naphthalen-1-ylacetamide
CID 11762982
4-(Furan-2-yl)-10-[2-[4-(6-methoxy-3-pyridinyl)phenyl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
CID 44568315

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethyl)-1,3-dioxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]isoindole-5-carboxamide?
The IUPAC name of 2-(furan-2-ylmethyl)-1,3-dioxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]isoindole-5-carboxamide (CID 38432437) is 2-(furan-2-ylmethyl)-1,3-dioxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]isoindole-5-carboxamide.
What is the SMILES notation for 2-(furan-2-ylmethyl)-1,3-dioxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]isoindole-5-carboxamide?
The canonical SMILES for 2-(furan-2-ylmethyl)-1,3-dioxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]isoindole-5-carboxamide is O=C(NCc1cccnc1-n1cccn1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O.
What is the InChIKey of 2-(furan-2-ylmethyl)-1,3-dioxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]isoindole-5-carboxamide?
The InChIKey is BGGBRWYXODEXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O4/c29-21(25-13-16-4-1-8-24-20(16)28-10-3-9-26-28)15-6-7-18-19(12-15)23(31)27(22(18)30)14-17-5-2-11-32-17/h1-12H,13-14H2,(H,25,29).
What are the key properties of 2-(furan-2-ylmethyl)-1,3-dioxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]isoindole-5-carboxamide?
2-(furan-2-ylmethyl)-1,3-dioxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]isoindole-5-carboxamide has a molecular weight of 427.42 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyl)-1,3-dioxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]isoindole-5-carboxamide is sourced from PubChem (CID 38432437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).