4-methyl-2-oxo-N-[3-[[3-[4-[[4-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propylcarbamoyl]-2-pyridinyl]oxy]phenyl]-1H-pyrazole-5-carbonyl]amino]propyl]-1H-pyridine-3-carboxamide

C39H38N10O6 — CID 131991862

IUPAC4-methyl-2-oxo-N-[3-[[3-[4-[[4-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propylcarbamoyl]-2-pyridinyl]oxy]phenyl]-1H-pyrazole-5-carbonyl]amino]propyl]-1H-pyridine-3-carboxamide
SMILESCc1cc[nH]c(=O)c1C(=O)NCCCNC(=O)c1cc(-c2ccc(Oc3cc(C(=O)NCCCNC(=O)c4cc(-c5ccccc5)n[nH]4)ccn3)cc2)n[nH]1
InChIInChI=1S/C39H38N10O6/c1-24-13-19-45-39(54)34(24)38(53)44-18-6-17-43-37(52)32-23-30(47-49-32)26-9-11-28(12-10-26)55-33-21-27(14-20-40-33)35(50)41-15-5-16-42-36(51)31-22-29(46-48-31)25-7-3-2-4-8-25/h2-4,7-14,19-23H,5-6,15-18H2,1H3,(H,41,50)(H,42,51)(H,43,52)(H,44,53)(H,45,54)(H,46,48)(H,47,49)
InChIKeyWCBAGUKCZOZXFF-UHFFFAOYSA-N
MW742.80 g/mol
LogP3.75
Rot. Bonds16

About 4-methyl-2-oxo-N-[3-[[3-[4-[[4-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propylcarbamoyl]-2-pyridinyl]oxy]phenyl]-1H-pyrazole-5-carbonyl]amino]propyl]-1H-pyridine-3-carboxamide

4-methyl-2-oxo-N-[3-[[3-[4-[[4-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propylcarbamoyl]-2-pyridinyl]oxy]phenyl]-1H-pyrazole-5-carbonyl]amino]propyl]-1H-pyridine-3-carboxamide (PubChem CID 131991862) has the molecular formula C39H38N10O6 and a molecular weight of 742.80 g/mol. Its IUPAC name is 4-methyl-2-oxo-N-[3-[[3-[4-[[4-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propylcarbamoyl]-2-pyridinyl]oxy]phenyl]-1H-pyrazole-5-carbonyl]amino]propyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-2-oxo-N-[3-[[3-[4-[[4-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propylcarbamoyl]-2-pyridinyl]oxy]phenyl]-1H-pyrazole-5-carbonyl]amino]propyl]-1H-pyridine-3-carboxamide
PubChem CID131991862
Molecular FormulaC39H38N10O6
Molecular Weight742.80 g/mol
Exact Mass742.30
IUPAC Name4-methyl-2-oxo-N-[3-[[3-[4-[[4-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propylcarbamoyl]-2-pyridinyl]oxy]phenyl]-1H-pyrazole-5-carbonyl]amino]propyl]-1H-pyridine-3-carboxamide
SMILESCc1cc[nH]c(=O)c1C(=O)NCCCNC(=O)c1cc(-c2ccc(Oc3cc(C(=O)NCCCNC(=O)c4cc(-c5ccccc5)n[nH]4)ccn3)cc2)n[nH]1
InChIInChI=1S/C39H38N10O6/c1-24-13-19-45-39(54)34(24)38(53)44-18-6-17-43-37(52)32-23-30(47-49-32)26-9-11-28(12-10-26)55-33-21-27(14-20-40-33)35(50)41-15-5-16-42-36(51)31-22-29(46-48-31)25-7-3-2-4-8-25/h2-4,7-14,19-23H,5-6,15-18H2,1H3,(H,41,50)(H,42,51)(H,43,52)(H,44,53)(H,45,54)(H,46,48)(H,47,49)
InChIKeyWCBAGUKCZOZXFF-UHFFFAOYSA-N
XLogP3.75
TPSA228.74 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.80
LogP ≤ 53.75
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 4-methyl-2-oxo-N-[3-[[3-[4-[[4-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propylcarbamoyl]-2-pyridinyl]oxy]phenyl]-1H-pyrazole-5-carbonyl]amino]propyl]-1H-pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-N-[3-[[3-[4-[[4-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propylcarbamoyl]-2-pyridinyl]oxy]phenyl]-1H-pyrazole-5-carbonyl]amino]propyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 4-methyl-2-oxo-N-[3-[[3-[4-[[4-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propylcarbamoyl]-2-pyridinyl]oxy]phenyl]-1H-pyrazole-5-carbonyl]amino]propyl]-1H-pyridine-3-carboxamide (CID 131991862) is 4-methyl-2-oxo-N-[3-[[3-[4-[[4-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propylcarbamoyl]-2-pyridinyl]oxy]phenyl]-1H-pyrazole-5-carbonyl]amino]propyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 4-methyl-2-oxo-N-[3-[[3-[4-[[4-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propylcarbamoyl]-2-pyridinyl]oxy]phenyl]-1H-pyrazole-5-carbonyl]amino]propyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 4-methyl-2-oxo-N-[3-[[3-[4-[[4-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propylcarbamoyl]-2-pyridinyl]oxy]phenyl]-1H-pyrazole-5-carbonyl]amino]propyl]-1H-pyridine-3-carboxamide is Cc1cc[nH]c(=O)c1C(=O)NCCCNC(=O)c1cc(-c2ccc(Oc3cc(C(=O)NCCCNC(=O)c4cc(-c5ccccc5)n[nH]4)ccn3)cc2)n[nH]1.
What is the InChIKey of 4-methyl-2-oxo-N-[3-[[3-[4-[[4-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propylcarbamoyl]-2-pyridinyl]oxy]phenyl]-1H-pyrazole-5-carbonyl]amino]propyl]-1H-pyridine-3-carboxamide?
The InChIKey is WCBAGUKCZOZXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H38N10O6/c1-24-13-19-45-39(54)34(24)38(53)44-18-6-17-43-37(52)32-23-30(47-49-32)26-9-11-28(12-10-26)55-33-21-27(14-20-40-33)35(50)41-15-5-16-42-36(51)31-22-29(46-48-31)25-7-3-2-4-8-25/h2-4,7-14,19-23H,5-6,15-18H2,1H3,(H,41,50)(H,42,51)(H,43,52)(H,44,53)(H,45,54)(H,46,48)(H,47,49).
What are the key properties of 4-methyl-2-oxo-N-[3-[[3-[4-[[4-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propylcarbamoyl]-2-pyridinyl]oxy]phenyl]-1H-pyrazole-5-carbonyl]amino]propyl]-1H-pyridine-3-carboxamide?
4-methyl-2-oxo-N-[3-[[3-[4-[[4-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propylcarbamoyl]-2-pyridinyl]oxy]phenyl]-1H-pyrazole-5-carbonyl]amino]propyl]-1H-pyridine-3-carboxamide has a molecular weight of 742.80 g/mol, XLogP of 3.75, 16 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-N-[3-[[3-[4-[[4-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propylcarbamoyl]-2-pyridinyl]oxy]phenyl]-1H-pyrazole-5-carbonyl]amino]propyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 131991862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).