methyl 5-[3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]indazol-1-yl]pentanoate

C19H26N4O4 — CID 102333976

IUPACmethyl 5-[3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]indazol-1-yl]pentanoate
SMILESCOC(=O)CCCCn1nc(C(=O)NC(C(N)=O)C(C)C)c2ccccc21
InChIInChI=1S/C19H26N4O4/c1-12(2)16(18(20)25)21-19(26)17-13-8-4-5-9-14(13)23(22-17)11-7-6-10-15(24)27-3/h4-5,8-9,12,16H,6-7,10-11H2,1-3H3,(H2,20,25)(H,21,26)
InChIKeyAXRQQLPJJDLVJN-UHFFFAOYSA-N
MW374.44 g/mol
LogP1.62
Rot. Bonds9

About methyl 5-[3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]indazol-1-yl]pentanoate

methyl 5-[3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]indazol-1-yl]pentanoate (PubChem CID 102333976) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is methyl 5-[3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]indazol-1-yl]pentanoate.

Molecular Properties

Compound Namemethyl 5-[3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]indazol-1-yl]pentanoate
PubChem CID102333976
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Namemethyl 5-[3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]indazol-1-yl]pentanoate
SMILESCOC(=O)CCCCn1nc(C(=O)NC(C(N)=O)C(C)C)c2ccccc21
InChIInChI=1S/C19H26N4O4/c1-12(2)16(18(20)25)21-19(26)17-13-8-4-5-9-14(13)23(22-17)11-7-6-10-15(24)27-3/h4-5,8-9,12,16H,6-7,10-11H2,1-3H3,(H2,20,25)(H,21,26)
InChIKeyAXRQQLPJJDLVJN-UHFFFAOYSA-N
XLogP1.62
TPSA116.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-(5-fluoro-4-hydroxypentyl)indazole-3-carboxamide
CID 118964467
N-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]-1-(cyclohexylmethyl)indazole-3-carboxamide
CID 121491668
4-[3-[[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]indazol-1-yl]butanoic acid
CID 165361556
N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(5-hydroxypentyl)indazole-3-carboxamide
CID 132988664
N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-(3-trimethylsilylpropyl)indazole-3-carboxamide
CID 172871875
methyl 2-[(1-ethyl-4-oxocinnoline-3-carbonyl)amino]-3-methylbutanoate
CID 75770241
1-(5-amino-5-oxopentyl)-N-[1-(cyclopropylamino)-3,3-dimethyl-1-oxobutan-2-yl]indazole-3-carboxamide
CID 70969741
methyl 1-(3-methoxypropyl)indazole-3-carboxylate
CID 68501253
ethyl (2S)-2-[[1-[(4-fluorophenyl)methyl]indazole-3-carbonyl]amino]-3-methylbutanoate
CID 125181443
ethyl 1-(3-methoxypropyl)indazole-3-carboxylate
CID 90286417
(2R,3R)-4-amino-3-[[1-(cyclohexylmethyl)indazole-3-carbonyl]amino]-2-methyl-4-oxobutanoic acid
CID 125181267
N-[1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]-1-(3-cyanopropyl)indazole-3-carboxamide
CID 143855615

Frequently Asked Questions

What is the IUPAC name of methyl 5-[3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]indazol-1-yl]pentanoate?
The IUPAC name of methyl 5-[3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]indazol-1-yl]pentanoate (CID 102333976) is methyl 5-[3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]indazol-1-yl]pentanoate.
What is the SMILES notation for methyl 5-[3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]indazol-1-yl]pentanoate?
The canonical SMILES for methyl 5-[3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]indazol-1-yl]pentanoate is COC(=O)CCCCn1nc(C(=O)NC(C(N)=O)C(C)C)c2ccccc21.
What is the InChIKey of methyl 5-[3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]indazol-1-yl]pentanoate?
The InChIKey is AXRQQLPJJDLVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-12(2)16(18(20)25)21-19(26)17-13-8-4-5-9-14(13)23(22-17)11-7-6-10-15(24)27-3/h4-5,8-9,12,16H,6-7,10-11H2,1-3H3,(H2,20,25)(H,21,26).
What are the key properties of methyl 5-[3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]indazol-1-yl]pentanoate?
methyl 5-[3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]indazol-1-yl]pentanoate has a molecular weight of 374.44 g/mol, XLogP of 1.62, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]indazol-1-yl]pentanoate is sourced from PubChem (CID 102333976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).