1-methyl-5-(1-methylpiperidine-4-carbonyl)indazole-3-carboxylic acid

C16H19N3O3 — CID 170083056

IUPAC1-methyl-5-(1-methylpiperidine-4-carbonyl)indazole-3-carboxylic acid
SMILESCN1CCC(C(=O)c2ccc3c(c2)c(C(=O)O)nn3C)CC1
InChIInChI=1S/C16H19N3O3/c1-18-7-5-10(6-8-18)15(20)11-3-4-13-12(9-11)14(16(21)22)17-19(13)2/h3-4,9-10H,5-8H2,1-2H3,(H,21,22)
InChIKeyIMBYKRVPYMXUDQ-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.80
Rot. Bonds3

About 1-methyl-5-(1-methylpiperidine-4-carbonyl)indazole-3-carboxylic acid

1-methyl-5-(1-methylpiperidine-4-carbonyl)indazole-3-carboxylic acid (PubChem CID 170083056) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-methyl-5-(1-methylpiperidine-4-carbonyl)indazole-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-(1-methylpiperidine-4-carbonyl)indazole-3-carboxylic acid
PubChem CID170083056
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name1-methyl-5-(1-methylpiperidine-4-carbonyl)indazole-3-carboxylic acid
SMILESCN1CCC(C(=O)c2ccc3c(c2)c(C(=O)O)nn3C)CC1
InChIInChI=1S/C16H19N3O3/c1-18-7-5-10(6-8-18)15(20)11-3-4-13-12(9-11)14(16(21)22)17-19(13)2/h3-4,9-10H,5-8H2,1-2H3,(H,21,22)
InChIKeyIMBYKRVPYMXUDQ-UHFFFAOYSA-N
XLogP1.80
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(1-methylpiperidine-4-carbonyl)indazole-3-carboxylic acid?
The IUPAC name of 1-methyl-5-(1-methylpiperidine-4-carbonyl)indazole-3-carboxylic acid (CID 170083056) is 1-methyl-5-(1-methylpiperidine-4-carbonyl)indazole-3-carboxylic acid.
What is the SMILES notation for 1-methyl-5-(1-methylpiperidine-4-carbonyl)indazole-3-carboxylic acid?
The canonical SMILES for 1-methyl-5-(1-methylpiperidine-4-carbonyl)indazole-3-carboxylic acid is CN1CCC(C(=O)c2ccc3c(c2)c(C(=O)O)nn3C)CC1.
What is the InChIKey of 1-methyl-5-(1-methylpiperidine-4-carbonyl)indazole-3-carboxylic acid?
The InChIKey is IMBYKRVPYMXUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-18-7-5-10(6-8-18)15(20)11-3-4-13-12(9-11)14(16(21)22)17-19(13)2/h3-4,9-10H,5-8H2,1-2H3,(H,21,22).
What are the key properties of 1-methyl-5-(1-methylpiperidine-4-carbonyl)indazole-3-carboxylic acid?
1-methyl-5-(1-methylpiperidine-4-carbonyl)indazole-3-carboxylic acid has a molecular weight of 301.35 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(1-methylpiperidine-4-carbonyl)indazole-3-carboxylic acid is sourced from PubChem (CID 170083056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).