7-[(5-methyl-1H-indazole-7-carbonyl)amino]heptanoic acid

C16H21N3O3 — CID 119227464

IUPAC7-[(5-methyl-1H-indazole-7-carbonyl)amino]heptanoic acid
SMILESCc1cc(C(=O)NCCCCCCC(=O)O)c2[nH]ncc2c1
InChIInChI=1S/C16H21N3O3/c1-11-8-12-10-18-19-15(12)13(9-11)16(22)17-7-5-3-2-4-6-14(20)21/h8-10H,2-7H2,1H3,(H,17,22)(H,18,19)(H,20,21)
InChIKeyRYMDLJDJWOACPA-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.64
Rot. Bonds8

About 7-[(5-methyl-1H-indazole-7-carbonyl)amino]heptanoic acid

7-[(5-methyl-1H-indazole-7-carbonyl)amino]heptanoic acid (PubChem CID 119227464) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 7-[(5-methyl-1H-indazole-7-carbonyl)amino]heptanoic acid.

Molecular Properties

Compound Name7-[(5-methyl-1H-indazole-7-carbonyl)amino]heptanoic acid
PubChem CID119227464
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name7-[(5-methyl-1H-indazole-7-carbonyl)amino]heptanoic acid
SMILESCc1cc(C(=O)NCCCCCCC(=O)O)c2[nH]ncc2c1
InChIInChI=1S/C16H21N3O3/c1-11-8-12-10-18-19-15(12)13(9-11)16(22)17-7-5-3-2-4-6-14(20)21/h8-10H,2-7H2,1H3,(H,17,22)(H,18,19)(H,20,21)
InChIKeyRYMDLJDJWOACPA-UHFFFAOYSA-N
XLogP2.64
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[(5-amino-1H-pyrazole-4-carbonyl)amino]hexanoic acid
CID 110484163
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1H-indazole-7-carboxamide
CID 120945040
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1H-indazole-7-carboxamide;hydrochloride
CID 120945039
7-[(2,4,6-trimethylbenzoyl)amino]heptanoic acid
CID 24695626
(2R)-3-methyl-2-[(5-methyl-1H-indazole-7-carbonyl)amino]butanoic acid
CID 119369476
N-[5-[(2-amino-2-oxoethyl)carbamoyl]-1H-pyrazol-4-yl]-5-methyl-1H-indazole-7-carboxamide
CID 167971765
7-[[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]amino]heptanoic acid
CID 119227287
7-[(2-chloro-4-methylbenzoyl)amino]heptanoic acid
CID 106860475
12-[(2-methylbenzoyl)amino]dodecanoic acid
CID 10759093
8-[(3-methyl-1,2-thiazole-4-carbonyl)amino]octanoic acid
CID 120535597
7-[(5-fluoro-2-methylbenzoyl)amino]heptanoic acid
CID 62034426
7-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]heptanoic acid
CID 75405746

Frequently Asked Questions

What is the IUPAC name of 7-[(5-methyl-1H-indazole-7-carbonyl)amino]heptanoic acid?
The IUPAC name of 7-[(5-methyl-1H-indazole-7-carbonyl)amino]heptanoic acid (CID 119227464) is 7-[(5-methyl-1H-indazole-7-carbonyl)amino]heptanoic acid.
What is the SMILES notation for 7-[(5-methyl-1H-indazole-7-carbonyl)amino]heptanoic acid?
The canonical SMILES for 7-[(5-methyl-1H-indazole-7-carbonyl)amino]heptanoic acid is Cc1cc(C(=O)NCCCCCCC(=O)O)c2[nH]ncc2c1.
What is the InChIKey of 7-[(5-methyl-1H-indazole-7-carbonyl)amino]heptanoic acid?
The InChIKey is RYMDLJDJWOACPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-11-8-12-10-18-19-15(12)13(9-11)16(22)17-7-5-3-2-4-6-14(20)21/h8-10H,2-7H2,1H3,(H,17,22)(H,18,19)(H,20,21).
What are the key properties of 7-[(5-methyl-1H-indazole-7-carbonyl)amino]heptanoic acid?
7-[(5-methyl-1H-indazole-7-carbonyl)amino]heptanoic acid has a molecular weight of 303.36 g/mol, XLogP of 2.64, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-methyl-1H-indazole-7-carbonyl)amino]heptanoic acid is sourced from PubChem (CID 119227464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).