3-(2-pyrrolidin-1-ylethylamino)-1H-indazole-6-carboxylic acid

C14H18N4O2 — CID 57473625

IUPAC3-(2-pyrrolidin-1-ylethylamino)-1H-indazole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(NCCN3CCCC3)n[nH]c2c1
InChIInChI=1S/C14H18N4O2/c19-14(20)10-3-4-11-12(9-10)16-17-13(11)15-5-8-18-6-1-2-7-18/h3-4,9H,1-2,5-8H2,(H,19,20)(H2,15,16,17)
InChIKeyVKLFWCMSFDHFMY-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.77
Rot. Bonds5

About 3-(2-pyrrolidin-1-ylethylamino)-1H-indazole-6-carboxylic acid

3-(2-pyrrolidin-1-ylethylamino)-1H-indazole-6-carboxylic acid (PubChem CID 57473625) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-(2-pyrrolidin-1-ylethylamino)-1H-indazole-6-carboxylic acid.

Molecular Properties

Compound Name3-(2-pyrrolidin-1-ylethylamino)-1H-indazole-6-carboxylic acid
PubChem CID57473625
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3-(2-pyrrolidin-1-ylethylamino)-1H-indazole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(NCCN3CCCC3)n[nH]c2c1
InChIInChI=1S/C14H18N4O2/c19-14(20)10-3-4-11-12(9-10)16-17-13(11)15-5-8-18-6-1-2-7-18/h3-4,9H,1-2,5-8H2,(H,19,20)(H2,15,16,17)
InChIKeyVKLFWCMSFDHFMY-UHFFFAOYSA-N
XLogP1.77
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-pyrrolidin-1-ylethylamino)-1H-indazole-6-carboxylic acid?
The IUPAC name of 3-(2-pyrrolidin-1-ylethylamino)-1H-indazole-6-carboxylic acid (CID 57473625) is 3-(2-pyrrolidin-1-ylethylamino)-1H-indazole-6-carboxylic acid.
What is the SMILES notation for 3-(2-pyrrolidin-1-ylethylamino)-1H-indazole-6-carboxylic acid?
The canonical SMILES for 3-(2-pyrrolidin-1-ylethylamino)-1H-indazole-6-carboxylic acid is O=C(O)c1ccc2c(NCCN3CCCC3)n[nH]c2c1.
What is the InChIKey of 3-(2-pyrrolidin-1-ylethylamino)-1H-indazole-6-carboxylic acid?
The InChIKey is VKLFWCMSFDHFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c19-14(20)10-3-4-11-12(9-10)16-17-13(11)15-5-8-18-6-1-2-7-18/h3-4,9H,1-2,5-8H2,(H,19,20)(H2,15,16,17).
What are the key properties of 3-(2-pyrrolidin-1-ylethylamino)-1H-indazole-6-carboxylic acid?
3-(2-pyrrolidin-1-ylethylamino)-1H-indazole-6-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 1.77, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyrrolidin-1-ylethylamino)-1H-indazole-6-carboxylic acid is sourced from PubChem (CID 57473625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).