6-(2,6-difluorophenyl)-4-[(6-morpholin-4-yl-3-pyridinyl)amino]pyridazine-3-carboxylic acid

C20H17F2N5O3 — CID 175721025

IUPAC6-(2,6-difluorophenyl)-4-[(6-morpholin-4-yl-3-pyridinyl)amino]pyridazine-3-carboxylic acid
SMILESO=C(O)c1nnc(-c2c(F)cccc2F)cc1Nc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C20H17F2N5O3/c21-13-2-1-3-14(22)18(13)15-10-16(19(20(28)29)26-25-15)24-12-4-5-17(23-11-12)27-6-8-30-9-7-27/h1-5,10-11H,6-9H2,(H,24,25)(H,28,29)
InChIKeyBOEXIVVKPCUCFX-UHFFFAOYSA-N
MW413.38 g/mol
LogP3.10
Rot. Bonds5

About 6-(2,6-difluorophenyl)-4-[(6-morpholin-4-yl-3-pyridinyl)amino]pyridazine-3-carboxylic acid

6-(2,6-difluorophenyl)-4-[(6-morpholin-4-yl-3-pyridinyl)amino]pyridazine-3-carboxylic acid (PubChem CID 175721025) has the molecular formula C20H17F2N5O3 and a molecular weight of 413.38 g/mol. Its IUPAC name is 6-(2,6-difluorophenyl)-4-[(6-morpholin-4-yl-3-pyridinyl)amino]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2,6-difluorophenyl)-4-[(6-morpholin-4-yl-3-pyridinyl)amino]pyridazine-3-carboxylic acid
PubChem CID175721025
Molecular FormulaC20H17F2N5O3
Molecular Weight413.38 g/mol
Exact Mass413.13
IUPAC Name6-(2,6-difluorophenyl)-4-[(6-morpholin-4-yl-3-pyridinyl)amino]pyridazine-3-carboxylic acid
SMILESO=C(O)c1nnc(-c2c(F)cccc2F)cc1Nc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C20H17F2N5O3/c21-13-2-1-3-14(22)18(13)15-10-16(19(20(28)29)26-25-15)24-12-4-5-17(23-11-12)27-6-8-30-9-7-27/h1-5,10-11H,6-9H2,(H,24,25)(H,28,29)
InChIKeyBOEXIVVKPCUCFX-UHFFFAOYSA-N
XLogP3.10
TPSA100.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.38
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluorophenyl)-4-[(6-morpholin-4-yl-3-pyridinyl)amino]pyridazine-3-carboxylic acid?
The IUPAC name of 6-(2,6-difluorophenyl)-4-[(6-morpholin-4-yl-3-pyridinyl)amino]pyridazine-3-carboxylic acid (CID 175721025) is 6-(2,6-difluorophenyl)-4-[(6-morpholin-4-yl-3-pyridinyl)amino]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-(2,6-difluorophenyl)-4-[(6-morpholin-4-yl-3-pyridinyl)amino]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-(2,6-difluorophenyl)-4-[(6-morpholin-4-yl-3-pyridinyl)amino]pyridazine-3-carboxylic acid is O=C(O)c1nnc(-c2c(F)cccc2F)cc1Nc1ccc(N2CCOCC2)nc1.
What is the InChIKey of 6-(2,6-difluorophenyl)-4-[(6-morpholin-4-yl-3-pyridinyl)amino]pyridazine-3-carboxylic acid?
The InChIKey is BOEXIVVKPCUCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N5O3/c21-13-2-1-3-14(22)18(13)15-10-16(19(20(28)29)26-25-15)24-12-4-5-17(23-11-12)27-6-8-30-9-7-27/h1-5,10-11H,6-9H2,(H,24,25)(H,28,29).
What are the key properties of 6-(2,6-difluorophenyl)-4-[(6-morpholin-4-yl-3-pyridinyl)amino]pyridazine-3-carboxylic acid?
6-(2,6-difluorophenyl)-4-[(6-morpholin-4-yl-3-pyridinyl)amino]pyridazine-3-carboxylic acid has a molecular weight of 413.38 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluorophenyl)-4-[(6-morpholin-4-yl-3-pyridinyl)amino]pyridazine-3-carboxylic acid is sourced from PubChem (CID 175721025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).