2-[[1H-indol-5-yl-(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl)methyl]-methylamino]acetic acid

C21H19N5O3 — CID 91086912

IUPAC2-[[1H-indol-5-yl-(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl)methyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(c1ccc2[nH]ccc2c1)c1cc(-c2ccncc2)n[nH]c1=O
InChIInChI=1S/C21H19N5O3/c1-26(12-19(27)28)20(15-2-3-17-14(10-15)6-9-23-17)16-11-18(24-25-21(16)29)13-4-7-22-8-5-13/h2-11,20,23H,12H2,1H3,(H,25,29)(H,27,28)
InChIKeyAHAMHKYWYGCDRE-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.42
Rot. Bonds6

About 2-[[1H-indol-5-yl-(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl)methyl]-methylamino]acetic acid

2-[[1H-indol-5-yl-(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl)methyl]-methylamino]acetic acid (PubChem CID 91086912) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is 2-[[1H-indol-5-yl-(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl)methyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[1H-indol-5-yl-(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl)methyl]-methylamino]acetic acid
PubChem CID91086912
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC Name2-[[1H-indol-5-yl-(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl)methyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(c1ccc2[nH]ccc2c1)c1cc(-c2ccncc2)n[nH]c1=O
InChIInChI=1S/C21H19N5O3/c1-26(12-19(27)28)20(15-2-3-17-14(10-15)6-9-23-17)16-11-18(24-25-21(16)29)13-4-7-22-8-5-13/h2-11,20,23H,12H2,1H3,(H,25,29)(H,27,28)
InChIKeyAHAMHKYWYGCDRE-UHFFFAOYSA-N
XLogP2.42
TPSA114.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1H-indol-5-yl-(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl)methyl]-methylamino]acetic acid?
The IUPAC name of 2-[[1H-indol-5-yl-(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl)methyl]-methylamino]acetic acid (CID 91086912) is 2-[[1H-indol-5-yl-(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl)methyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[1H-indol-5-yl-(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl)methyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[1H-indol-5-yl-(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl)methyl]-methylamino]acetic acid is CN(CC(=O)O)C(c1ccc2[nH]ccc2c1)c1cc(-c2ccncc2)n[nH]c1=O.
What is the InChIKey of 2-[[1H-indol-5-yl-(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl)methyl]-methylamino]acetic acid?
The InChIKey is AHAMHKYWYGCDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-26(12-19(27)28)20(15-2-3-17-14(10-15)6-9-23-17)16-11-18(24-25-21(16)29)13-4-7-22-8-5-13/h2-11,20,23H,12H2,1H3,(H,25,29)(H,27,28).
What are the key properties of 2-[[1H-indol-5-yl-(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl)methyl]-methylamino]acetic acid?
2-[[1H-indol-5-yl-(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl)methyl]-methylamino]acetic acid has a molecular weight of 389.42 g/mol, XLogP of 2.42, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1H-indol-5-yl-(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl)methyl]-methylamino]acetic acid is sourced from PubChem (CID 91086912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).