1-[[1-(4-iodophenyl)triazol-4-yl]methyl]-N,3-diphenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

C28H24IN7O — CID 146000821

IUPAC1-[[1-(4-iodophenyl)triazol-4-yl]methyl]-N,3-diphenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESO=C(Nc1ccccc1)N1CCc2c(c(-c3ccccc3)nn2Cc2cn(-c3ccc(I)cc3)nn2)C1
InChIInChI=1S/C28H24IN7O/c29-21-11-13-24(14-12-21)35-17-23(31-33-35)18-36-26-15-16-34(28(37)30-22-9-5-2-6-10-22)19-25(26)27(32-36)20-7-3-1-4-8-20/h1-14,17H,15-16,18-19H2,(H,30,37)
InChIKeySDHZWQLDSBOPKD-UHFFFAOYSA-N
MW601.45 g/mol
LogP5.37
Rot. Bonds5

About 1-[[1-(4-iodophenyl)triazol-4-yl]methyl]-N,3-diphenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

1-[[1-(4-iodophenyl)triazol-4-yl]methyl]-N,3-diphenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 146000821) has the molecular formula C28H24IN7O and a molecular weight of 601.45 g/mol. Its IUPAC name is 1-[[1-(4-iodophenyl)triazol-4-yl]methyl]-N,3-diphenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-[[1-(4-iodophenyl)triazol-4-yl]methyl]-N,3-diphenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID146000821
Molecular FormulaC28H24IN7O
Molecular Weight601.45 g/mol
Exact Mass601.11
IUPAC Name1-[[1-(4-iodophenyl)triazol-4-yl]methyl]-N,3-diphenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESO=C(Nc1ccccc1)N1CCc2c(c(-c3ccccc3)nn2Cc2cn(-c3ccc(I)cc3)nn2)C1
InChIInChI=1S/C28H24IN7O/c29-21-11-13-24(14-12-21)35-17-23(31-33-35)18-36-26-15-16-34(28(37)30-22-9-5-2-6-10-22)19-25(26)27(32-36)20-7-3-1-4-8-20/h1-14,17H,15-16,18-19H2,(H,30,37)
InChIKeySDHZWQLDSBOPKD-UHFFFAOYSA-N
XLogP5.37
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.45
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-iodophenyl)triazol-4-yl]methyl]-N,3-diphenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of 1-[[1-(4-iodophenyl)triazol-4-yl]methyl]-N,3-diphenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 146000821) is 1-[[1-(4-iodophenyl)triazol-4-yl]methyl]-N,3-diphenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 1-[[1-(4-iodophenyl)triazol-4-yl]methyl]-N,3-diphenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for 1-[[1-(4-iodophenyl)triazol-4-yl]methyl]-N,3-diphenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is O=C(Nc1ccccc1)N1CCc2c(c(-c3ccccc3)nn2Cc2cn(-c3ccc(I)cc3)nn2)C1.
What is the InChIKey of 1-[[1-(4-iodophenyl)triazol-4-yl]methyl]-N,3-diphenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is SDHZWQLDSBOPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24IN7O/c29-21-11-13-24(14-12-21)35-17-23(31-33-35)18-36-26-15-16-34(28(37)30-22-9-5-2-6-10-22)19-25(26)27(32-36)20-7-3-1-4-8-20/h1-14,17H,15-16,18-19H2,(H,30,37).
What are the key properties of 1-[[1-(4-iodophenyl)triazol-4-yl]methyl]-N,3-diphenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
1-[[1-(4-iodophenyl)triazol-4-yl]methyl]-N,3-diphenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 601.45 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-iodophenyl)triazol-4-yl]methyl]-N,3-diphenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 146000821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).