7-amino-2-naphthalen-2-yl-5-phenylimidazo[1,5-b]pyridazine-3-carbonitrile

C23H15N5 — CID 134717238

IUPAC7-amino-2-naphthalen-2-yl-5-phenylimidazo[1,5-b]pyridazine-3-carbonitrile
SMILESN#Cc1cc2c(-c3ccccc3)nc(N)n2nc1-c1ccc2ccccc2c1
InChIInChI=1S/C23H15N5/c24-14-19-13-20-22(16-7-2-1-3-8-16)26-23(25)28(20)27-21(19)18-11-10-15-6-4-5-9-17(15)12-18/h1-13H,(H2,25,26)
InChIKeyUHEAKMOKMDFTHA-UHFFFAOYSA-N
MW361.41 g/mol
LogP4.67
Rot. Bonds2

About 7-amino-2-naphthalen-2-yl-5-phenylimidazo[1,5-b]pyridazine-3-carbonitrile

7-amino-2-naphthalen-2-yl-5-phenylimidazo[1,5-b]pyridazine-3-carbonitrile (PubChem CID 134717238) has the molecular formula C23H15N5 and a molecular weight of 361.41 g/mol. Its IUPAC name is 7-amino-2-naphthalen-2-yl-5-phenylimidazo[1,5-b]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name7-amino-2-naphthalen-2-yl-5-phenylimidazo[1,5-b]pyridazine-3-carbonitrile
PubChem CID134717238
Molecular FormulaC23H15N5
Molecular Weight361.41 g/mol
Exact Mass361.13
IUPAC Name7-amino-2-naphthalen-2-yl-5-phenylimidazo[1,5-b]pyridazine-3-carbonitrile
SMILESN#Cc1cc2c(-c3ccccc3)nc(N)n2nc1-c1ccc2ccccc2c1
InChIInChI=1S/C23H15N5/c24-14-19-13-20-22(16-7-2-1-3-8-16)26-23(25)28(20)27-21(19)18-11-10-15-6-4-5-9-17(15)12-18/h1-13H,(H2,25,26)
InChIKeyUHEAKMOKMDFTHA-UHFFFAOYSA-N
XLogP4.67
TPSA80.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-naphthalen-2-yl-5-phenylimidazo[1,5-b]pyridazin-7-amine
CID 91670625
4,5-dinaphthalen-2-ylbenzene-1,2-dicarbonitrile
CID 135379494
6-amino-2-naphthalen-2-ylpyrimidine-4-carbonitrile
CID 116862730
2-amino-4-naphthalen-2-yl-5-phenacyl-6-phenylpyridine-3-carbonitrile
CID 141419926
6-amino-2-phenylpyridine-3-carbonitrile
CID 121007722
7-amino-5-phenylpyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile
CID 14950768
1-hydroxy-3-phenylpyrazole-4-carbonitrile
CID 10058227
2,4-bis(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 153292216
4-[6-[4-(2-naphthalen-2-yl-5-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzonitrile
CID 169297272
3-(3,5-dinaphthalen-2-ylphenyl)-1-phenylimidazo[1,5-a]pyridine
CID 129257002
tris(4-cyano-3-phenylpyrazol-1-yl)boranuide
CID 102473943
4-[4-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzonitrile
CID 134317916

Frequently Asked Questions

What is the IUPAC name of 7-amino-2-naphthalen-2-yl-5-phenylimidazo[1,5-b]pyridazine-3-carbonitrile?
The IUPAC name of 7-amino-2-naphthalen-2-yl-5-phenylimidazo[1,5-b]pyridazine-3-carbonitrile (CID 134717238) is 7-amino-2-naphthalen-2-yl-5-phenylimidazo[1,5-b]pyridazine-3-carbonitrile.
What is the SMILES notation for 7-amino-2-naphthalen-2-yl-5-phenylimidazo[1,5-b]pyridazine-3-carbonitrile?
The canonical SMILES for 7-amino-2-naphthalen-2-yl-5-phenylimidazo[1,5-b]pyridazine-3-carbonitrile is N#Cc1cc2c(-c3ccccc3)nc(N)n2nc1-c1ccc2ccccc2c1.
What is the InChIKey of 7-amino-2-naphthalen-2-yl-5-phenylimidazo[1,5-b]pyridazine-3-carbonitrile?
The InChIKey is UHEAKMOKMDFTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N5/c24-14-19-13-20-22(16-7-2-1-3-8-16)26-23(25)28(20)27-21(19)18-11-10-15-6-4-5-9-17(15)12-18/h1-13H,(H2,25,26).
What are the key properties of 7-amino-2-naphthalen-2-yl-5-phenylimidazo[1,5-b]pyridazine-3-carbonitrile?
7-amino-2-naphthalen-2-yl-5-phenylimidazo[1,5-b]pyridazine-3-carbonitrile has a molecular weight of 361.41 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-naphthalen-2-yl-5-phenylimidazo[1,5-b]pyridazine-3-carbonitrile is sourced from PubChem (CID 134717238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).