(7-amino-5-phenylimidazo[1,5-b]pyridazin-3-yl)-(2-hydroxy-5-methylphenyl)methanone

C20H16N4O2 — CID 4792865

IUPAC(7-amino-5-phenylimidazo[1,5-b]pyridazin-3-yl)-(2-hydroxy-5-methylphenyl)methanone
SMILESCc1ccc(O)c(C(=O)c2cnn3c(N)nc(-c4ccccc4)c3c2)c1
InChIInChI=1S/C20H16N4O2/c1-12-7-8-17(25)15(9-12)19(26)14-10-16-18(13-5-3-2-4-6-13)23-20(21)24(16)22-11-14/h2-11,25H,1H3,(H2,21,23)
InChIKeyZVUDSGVLCFSVRH-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.22
Rot. Bonds3

About (7-amino-5-phenylimidazo[1,5-b]pyridazin-3-yl)-(2-hydroxy-5-methylphenyl)methanone

(7-amino-5-phenylimidazo[1,5-b]pyridazin-3-yl)-(2-hydroxy-5-methylphenyl)methanone (PubChem CID 4792865) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is (7-amino-5-phenylimidazo[1,5-b]pyridazin-3-yl)-(2-hydroxy-5-methylphenyl)methanone.

Molecular Properties

Compound Name(7-amino-5-phenylimidazo[1,5-b]pyridazin-3-yl)-(2-hydroxy-5-methylphenyl)methanone
PubChem CID4792865
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name(7-amino-5-phenylimidazo[1,5-b]pyridazin-3-yl)-(2-hydroxy-5-methylphenyl)methanone
SMILESCc1ccc(O)c(C(=O)c2cnn3c(N)nc(-c4ccccc4)c3c2)c1
InChIInChI=1S/C20H16N4O2/c1-12-7-8-17(25)15(9-12)19(26)14-10-16-18(13-5-3-2-4-6-13)23-20(21)24(16)22-11-14/h2-11,25H,1H3,(H2,21,23)
InChIKeyZVUDSGVLCFSVRH-UHFFFAOYSA-N
XLogP3.22
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2-aminophenyl)-(2-hydroxy-5-methylphenyl)methanone
CID 10680803
(2-hydroxy-5-methylphenyl)-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)methanone
CID 901814
(1,5-diphenylpyrrol-2-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 71359477
8-(2-hydroxy-5-methylbenzoyl)pyrido[2,1-b]quinazolin-11-one
CID 17395203
(4-methylphenyl)-(1-phenylimidazo[1,5-a]pyridin-3-yl)methanone
CID 163207391
2-(2-hydroxy-5-methylphenyl)-2-phenylethenone
CID 89322501
(2-hydroxyphenyl)-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanone
CID 11023968
(2-hydroxy-5-methylphenyl)-(3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridin-5-yl)methanone
CID 7998007
(5-methyl-3-pyridinyl)-(4-phenylphenyl)methanone
CID 105103449
4-(2-hydroxy-5-methylbenzoyl)benzaldehyde
CID 143547610
(2-hydroxy-5-methylphenyl)-[1-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]pyrazol-4-yl]methanone
CID 94178716
[1-[(3R)-1,1-dioxothiolan-3-yl]pyrazol-4-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 94817945

Frequently Asked Questions

What is the IUPAC name of (7-amino-5-phenylimidazo[1,5-b]pyridazin-3-yl)-(2-hydroxy-5-methylphenyl)methanone?
The IUPAC name of (7-amino-5-phenylimidazo[1,5-b]pyridazin-3-yl)-(2-hydroxy-5-methylphenyl)methanone (CID 4792865) is (7-amino-5-phenylimidazo[1,5-b]pyridazin-3-yl)-(2-hydroxy-5-methylphenyl)methanone.
What is the SMILES notation for (7-amino-5-phenylimidazo[1,5-b]pyridazin-3-yl)-(2-hydroxy-5-methylphenyl)methanone?
The canonical SMILES for (7-amino-5-phenylimidazo[1,5-b]pyridazin-3-yl)-(2-hydroxy-5-methylphenyl)methanone is Cc1ccc(O)c(C(=O)c2cnn3c(N)nc(-c4ccccc4)c3c2)c1.
What is the InChIKey of (7-amino-5-phenylimidazo[1,5-b]pyridazin-3-yl)-(2-hydroxy-5-methylphenyl)methanone?
The InChIKey is ZVUDSGVLCFSVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-12-7-8-17(25)15(9-12)19(26)14-10-16-18(13-5-3-2-4-6-13)23-20(21)24(16)22-11-14/h2-11,25H,1H3,(H2,21,23).
What are the key properties of (7-amino-5-phenylimidazo[1,5-b]pyridazin-3-yl)-(2-hydroxy-5-methylphenyl)methanone?
(7-amino-5-phenylimidazo[1,5-b]pyridazin-3-yl)-(2-hydroxy-5-methylphenyl)methanone has a molecular weight of 344.37 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-5-phenylimidazo[1,5-b]pyridazin-3-yl)-(2-hydroxy-5-methylphenyl)methanone is sourced from PubChem (CID 4792865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).