N-[5-[ethyl-[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]amino]pentyl]-2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetamide

C35H46N6O6 — CID 24964391

IUPACN-[5-[ethyl-[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]amino]pentyl]-2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetamide
SMILESCCN(CCCCCNC(=O)Cn1nc(C(=O)C(C)C)c2ccc(OC)cc21)C(=O)Cn1nc(C(=O)C(C)C)c2ccc(OC)cc21
InChIInChI=1S/C35H46N6O6/c1-8-39(31(43)21-41-29-19-25(47-7)13-15-27(29)33(38-41)35(45)23(4)5)17-11-9-10-16-36-30(42)20-40-28-18-24(46-6)12-14-26(28)32(37-40)34(44)22(2)3/h12-15,18-19,22-23H,8-11,16-17,20-21H2,1-7H3,(H,36,42)
InChIKeyOUVKXLJQPUJATC-UHFFFAOYSA-N
MW646.79 g/mol
LogP4.92
Rot. Bonds17

About N-[5-[ethyl-[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]amino]pentyl]-2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetamide

N-[5-[ethyl-[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]amino]pentyl]-2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetamide (PubChem CID 24964391) has the molecular formula C35H46N6O6 and a molecular weight of 646.79 g/mol. Its IUPAC name is N-[5-[ethyl-[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]amino]pentyl]-2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[5-[ethyl-[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]amino]pentyl]-2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetamide
PubChem CID24964391
Molecular FormulaC35H46N6O6
Molecular Weight646.79 g/mol
Exact Mass646.35
IUPAC NameN-[5-[ethyl-[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]amino]pentyl]-2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetamide
SMILESCCN(CCCCCNC(=O)Cn1nc(C(=O)C(C)C)c2ccc(OC)cc21)C(=O)Cn1nc(C(=O)C(C)C)c2ccc(OC)cc21
InChIInChI=1S/C35H46N6O6/c1-8-39(31(43)21-41-29-19-25(47-7)13-15-27(29)33(38-41)35(45)23(4)5)17-11-9-10-16-36-30(42)20-40-28-18-24(46-6)12-14-26(28)32(37-40)34(44)22(2)3/h12-15,18-19,22-23H,8-11,16-17,20-21H2,1-7H3,(H,36,42)
InChIKeyOUVKXLJQPUJATC-UHFFFAOYSA-N
XLogP4.92
TPSA137.65 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500646.79
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[6-[3-[2,2-difluoro-12-(4-methoxyphenyl)-4,6-dimethyl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-5-yl]propanoylamino]hexanoylamino]propyl]-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
CID 76335132
N-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 9867783
2-ethyl-5-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide
CID 22978081
methyl (2S)-2-[[6-[4-(diaminomethylideneamino)butoxy]-1-[(4-fluorophenyl)methyl]indazole-3-carbonyl]amino]-3,3-dimethylbutanoate
CID 172677805
2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5(4H)-yl]-N-(4-methoxybenzyl)acetamide
CID 16028260
2-(3-amino-3-oxopropyl)-6-methoxy-3-(4-methylbenzoyl)-2H-indazole 1-oxide
CID 24817250
4-[3-(4-Chloro-benzoyl)-6-methoxy-1-oxy-indazol-2-yl]-butyramide
CID 24979713
2-(4-carbamoylbenzyl)-6-methoxy-3-(4-methoxybenzoyl)-2H-indazole 1-oxide
CID 25161698
4-methoxy-1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
CID 46233560
1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-4-phenylmethoxyindazole-3-carboxamide
CID 46233590
6-methoxy-1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
CID 46233633
1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-6-phenylmethoxyindazole-3-carboxamide
CID 46233634

Frequently Asked Questions

What is the IUPAC name of N-[5-[ethyl-[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]amino]pentyl]-2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetamide?
The IUPAC name of N-[5-[ethyl-[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]amino]pentyl]-2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetamide (CID 24964391) is N-[5-[ethyl-[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]amino]pentyl]-2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetamide.
What is the SMILES notation for N-[5-[ethyl-[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]amino]pentyl]-2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetamide?
The canonical SMILES for N-[5-[ethyl-[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]amino]pentyl]-2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetamide is CCN(CCCCCNC(=O)Cn1nc(C(=O)C(C)C)c2ccc(OC)cc21)C(=O)Cn1nc(C(=O)C(C)C)c2ccc(OC)cc21.
What is the InChIKey of N-[5-[ethyl-[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]amino]pentyl]-2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetamide?
The InChIKey is OUVKXLJQPUJATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H46N6O6/c1-8-39(31(43)21-41-29-19-25(47-7)13-15-27(29)33(38-41)35(45)23(4)5)17-11-9-10-16-36-30(42)20-40-28-18-24(46-6)12-14-26(28)32(37-40)34(44)22(2)3/h12-15,18-19,22-23H,8-11,16-17,20-21H2,1-7H3,(H,36,42).
What are the key properties of N-[5-[ethyl-[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]amino]pentyl]-2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetamide?
N-[5-[ethyl-[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]amino]pentyl]-2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetamide has a molecular weight of 646.79 g/mol, XLogP of 4.92, 17 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[ethyl-[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]amino]pentyl]-2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetamide is sourced from PubChem (CID 24964391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).