3-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]anilino]-6-phenylpyridazine-4-carboxylic acid

C26H19N7O3 — CID 66731501

IUPAC3-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]anilino]-6-phenylpyridazine-4-carboxylic acid
SMILESNc1nccc(-c2cccnc2Oc2ccc(Nc3nnc(-c4ccccc4)cc3C(=O)O)cc2)n1
InChIInChI=1S/C26H19N7O3/c27-26-29-14-12-21(31-26)19-7-4-13-28-24(19)36-18-10-8-17(9-11-18)30-23-20(25(34)35)15-22(32-33-23)16-5-2-1-3-6-16/h1-15H,(H,30,33)(H,34,35)(H2,27,29,31)
InChIKeyQRDGTWTYQUCMTN-UHFFFAOYSA-N
MW477.48 g/mol
LogP4.81
Rot. Bonds7

About 3-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]anilino]-6-phenylpyridazine-4-carboxylic acid

3-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]anilino]-6-phenylpyridazine-4-carboxylic acid (PubChem CID 66731501) has the molecular formula C26H19N7O3 and a molecular weight of 477.48 g/mol. Its IUPAC name is 3-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]anilino]-6-phenylpyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]anilino]-6-phenylpyridazine-4-carboxylic acid
PubChem CID66731501
Molecular FormulaC26H19N7O3
Molecular Weight477.48 g/mol
Exact Mass477.15
IUPAC Name3-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]anilino]-6-phenylpyridazine-4-carboxylic acid
SMILESNc1nccc(-c2cccnc2Oc2ccc(Nc3nnc(-c4ccccc4)cc3C(=O)O)cc2)n1
InChIInChI=1S/C26H19N7O3/c27-26-29-14-12-21(31-26)19-7-4-13-28-24(19)36-18-10-8-17(9-11-18)30-23-20(25(34)35)15-22(32-33-23)16-5-2-1-3-6-16/h1-15H,(H,30,33)(H,34,35)(H2,27,29,31)
InChIKeyQRDGTWTYQUCMTN-UHFFFAOYSA-N
XLogP4.81
TPSA149.03 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.48
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 3-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]anilino]-6-phenylpyridazine-4-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

N-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-4-pyridin-3-ylphthalazin-1-amine
CID 66731857
N-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-4-pyridin-2-ylphthalazin-1-amine
CID 66732076
N-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-4-piperidin-1-ylphthalazin-1-amine
CID 66732204
[6-[4-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]anilino]phthalazin-1-yl]-2-pyridinyl]methanol
CID 66731422
3-[[4-[2-[4-[(4-phenylphthalazin-1-yl)amino]phenoxy]-3-pyridinyl]pyrimidin-2-yl]amino]propanoic acid
CID 66731609
N-[6-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]-3-pyridinyl]-4-phenylthieno[2,3-d]pyridazin-7-amine
CID 66732027
N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-1-phenyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-amine
CID 66731455
4-[4-[2-[4-[(4-phenylphthalazin-1-yl)amino]phenoxy]-3-pyridinyl]pyrimidin-2-yl]butyl dihydrogen phosphate;dihydrochloride
CID 160871684
1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-3-(4-phenoxyphenyl)urea
CID 58397003
N-[6-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]-3-pyridinyl]-4-(2-fluoro-5-methoxyphenyl)phthalazin-1-amine
CID 66731500
N-[6-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]-3-pyridinyl]-4-(4-methylthiophen-2-yl)phthalazin-1-amine
CID 16663282
N-[4-[[3-[2-[3-(4-methylpiperazin-1-yl)propylamino]pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-4-phenylphthalazin-1-amine
CID 66731895

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]anilino]-6-phenylpyridazine-4-carboxylic acid?
The IUPAC name of 3-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]anilino]-6-phenylpyridazine-4-carboxylic acid (CID 66731501) is 3-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]anilino]-6-phenylpyridazine-4-carboxylic acid.
What is the SMILES notation for 3-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]anilino]-6-phenylpyridazine-4-carboxylic acid?
The canonical SMILES for 3-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]anilino]-6-phenylpyridazine-4-carboxylic acid is Nc1nccc(-c2cccnc2Oc2ccc(Nc3nnc(-c4ccccc4)cc3C(=O)O)cc2)n1.
What is the InChIKey of 3-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]anilino]-6-phenylpyridazine-4-carboxylic acid?
The InChIKey is QRDGTWTYQUCMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N7O3/c27-26-29-14-12-21(31-26)19-7-4-13-28-24(19)36-18-10-8-17(9-11-18)30-23-20(25(34)35)15-22(32-33-23)16-5-2-1-3-6-16/h1-15H,(H,30,33)(H,34,35)(H2,27,29,31).
What are the key properties of 3-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]anilino]-6-phenylpyridazine-4-carboxylic acid?
3-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]anilino]-6-phenylpyridazine-4-carboxylic acid has a molecular weight of 477.48 g/mol, XLogP of 4.81, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]anilino]-6-phenylpyridazine-4-carboxylic acid is sourced from PubChem (CID 66731501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).