N-[3-[2-[2-[2-[2-[2-[4-(3-aminopropylamino)-2-oxobutoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylcarbamoyl]-4-methoxyphenyl]-5-(furan-2-yl)-1-methylpyrazole-3-carboxamide

C34H49N7O10 — CID 129176773

IUPACN-[3-[2-[2-[2-[2-[2-[4-(3-aminopropylamino)-2-oxobutoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylcarbamoyl]-4-methoxyphenyl]-5-(furan-2-yl)-1-methylpyrazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3ccco3)n(C)n2)cc1C(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)CCNCCCN
InChIInChI=1S/C34H49N7O10/c1-41-29(31-5-3-14-51-31)22-28(40-41)34(45)39-25-6-7-30(46-2)27(21-25)33(44)38-13-16-48-18-20-50-24-32(43)37-12-15-47-17-19-49-23-26(42)8-11-36-10-4-9-35/h3,5-7,14,21-22,36H,4,8-13,15-20,23-24,35H2,1-2H3,(H,37,43)(H,38,44)(H,39,45)
InChIKeyMKLWJGHFFNPHME-UHFFFAOYSA-N
MW715.81 g/mol
LogP0.75
Rot. Bonds27

About N-[3-[2-[2-[2-[2-[2-[4-(3-aminopropylamino)-2-oxobutoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylcarbamoyl]-4-methoxyphenyl]-5-(furan-2-yl)-1-methylpyrazole-3-carboxamide

N-[3-[2-[2-[2-[2-[2-[4-(3-aminopropylamino)-2-oxobutoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylcarbamoyl]-4-methoxyphenyl]-5-(furan-2-yl)-1-methylpyrazole-3-carboxamide (PubChem CID 129176773) has the molecular formula C34H49N7O10 and a molecular weight of 715.81 g/mol. Its IUPAC name is N-[3-[2-[2-[2-[2-[2-[4-(3-aminopropylamino)-2-oxobutoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylcarbamoyl]-4-methoxyphenyl]-5-(furan-2-yl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[2-[2-[2-[2-[4-(3-aminopropylamino)-2-oxobutoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylcarbamoyl]-4-methoxyphenyl]-5-(furan-2-yl)-1-methylpyrazole-3-carboxamide
PubChem CID129176773
Molecular FormulaC34H49N7O10
Molecular Weight715.81 g/mol
Exact Mass715.35
IUPAC NameN-[3-[2-[2-[2-[2-[2-[4-(3-aminopropylamino)-2-oxobutoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylcarbamoyl]-4-methoxyphenyl]-5-(furan-2-yl)-1-methylpyrazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3ccco3)n(C)n2)cc1C(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)CCNCCCN
InChIInChI=1S/C34H49N7O10/c1-41-29(31-5-3-14-51-31)22-28(40-41)34(45)39-25-6-7-30(46-2)27(21-25)33(44)38-13-16-48-18-20-50-24-32(43)37-12-15-47-17-19-49-23-26(42)8-11-36-10-4-9-35/h3,5-7,14,21-22,36H,4,8-13,15-20,23-24,35H2,1-2H3,(H,37,43)(H,38,44)(H,39,45)
InChIKeyMKLWJGHFFNPHME-UHFFFAOYSA-N
XLogP0.75
TPSA219.53 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds27
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.81
LogP ≤ 50.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze N-[3-[2-[2-[2-[2-[2-[4-(3-aminopropylamino)-2-oxobutoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylcarbamoyl]-4-methoxyphenyl]-5-(furan-2-yl)-1-methylpyrazole-3-carboxamide with MolForge

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Related Compounds

N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-4-(furan-2-yl)pyridine-2-carboxamide
CID 66727957
3-N-(3-aminopropyl)-1-N-[5-(furan-2-yl)-1-methylpyrazol-3-yl]-4-hydroxybenzene-1,3-dicarboxamide
CID 140608387
N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-5-ethynylpyridine-3-carboxamide
CID 87126859
N-[3-[[2-[2-[2-[[1-(3-aminopropylamino)-6-[[2-[2-[2-[[2-methoxy-5-(pyrrolo[1,2-a]imidazol-4-ium-2-carbonylamino)benzoyl]amino]ethoxy]ethoxy]acetyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-hydroxymethyl]-4-methoxyphenyl]imidazo[1,2-b]pyridazine-2-carboxamide
CID 123281852
N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-2-methyl-1H-indole-3-carboxamide
CID 66728085
5-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110674174
N-(3-aminopropyl)-5-(1,3-benzodioxol-5-ylcarbamoylamino)-2-methoxybenzamide
CID 66748308
5-(2-methoxy-5-methylphenyl)-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336789
N-[3-[3-[3-[[5-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)-2-methoxybenzoyl]amino]propylamino]propylcarbamoyl]-4-methoxyphenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 123934559
N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-5-cyclopropylpyridine-3-carboxamide
CID 66728054
N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-3-(3-chlorophenyl)-4-methyl-1H-pyrazole-5-carboxamide
CID 66727961
N-(3,4-dimethoxyphenyl)-5-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 110299497

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-[2-[2-[2-[4-(3-aminopropylamino)-2-oxobutoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylcarbamoyl]-4-methoxyphenyl]-5-(furan-2-yl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[3-[2-[2-[2-[2-[2-[4-(3-aminopropylamino)-2-oxobutoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylcarbamoyl]-4-methoxyphenyl]-5-(furan-2-yl)-1-methylpyrazole-3-carboxamide (CID 129176773) is N-[3-[2-[2-[2-[2-[2-[4-(3-aminopropylamino)-2-oxobutoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylcarbamoyl]-4-methoxyphenyl]-5-(furan-2-yl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-[2-[2-[2-[2-[2-[4-(3-aminopropylamino)-2-oxobutoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylcarbamoyl]-4-methoxyphenyl]-5-(furan-2-yl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-[2-[2-[2-[2-[2-[4-(3-aminopropylamino)-2-oxobutoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylcarbamoyl]-4-methoxyphenyl]-5-(furan-2-yl)-1-methylpyrazole-3-carboxamide is COc1ccc(NC(=O)c2cc(-c3ccco3)n(C)n2)cc1C(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)CCNCCCN.
What is the InChIKey of N-[3-[2-[2-[2-[2-[2-[4-(3-aminopropylamino)-2-oxobutoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylcarbamoyl]-4-methoxyphenyl]-5-(furan-2-yl)-1-methylpyrazole-3-carboxamide?
The InChIKey is MKLWJGHFFNPHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H49N7O10/c1-41-29(31-5-3-14-51-31)22-28(40-41)34(45)39-25-6-7-30(46-2)27(21-25)33(44)38-13-16-48-18-20-50-24-32(43)37-12-15-47-17-19-49-23-26(42)8-11-36-10-4-9-35/h3,5-7,14,21-22,36H,4,8-13,15-20,23-24,35H2,1-2H3,(H,37,43)(H,38,44)(H,39,45).
What are the key properties of N-[3-[2-[2-[2-[2-[2-[4-(3-aminopropylamino)-2-oxobutoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylcarbamoyl]-4-methoxyphenyl]-5-(furan-2-yl)-1-methylpyrazole-3-carboxamide?
N-[3-[2-[2-[2-[2-[2-[4-(3-aminopropylamino)-2-oxobutoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylcarbamoyl]-4-methoxyphenyl]-5-(furan-2-yl)-1-methylpyrazole-3-carboxamide has a molecular weight of 715.81 g/mol, XLogP of 0.75, 27 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-[2-[2-[2-[4-(3-aminopropylamino)-2-oxobutoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylcarbamoyl]-4-methoxyphenyl]-5-(furan-2-yl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 129176773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).