4-(3,4-dimethylphenyl)-N-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methylideneamino]phthalazin-1-amine

C30H24N6 — CID 6815774

IUPAC4-(3,4-dimethylphenyl)-N-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methylideneamino]phthalazin-1-amine
SMILESCc1ccc(-c2nnc(NN=Cc3c(-c4ccccc4)nc4ccccn34)c3ccccc23)cc1C
InChIInChI=1S/C30H24N6/c1-20-15-16-23(18-21(20)2)28-24-12-6-7-13-25(24)30(35-33-28)34-31-19-26-29(22-10-4-3-5-11-22)32-27-14-8-9-17-36(26)27/h3-19H,1-2H3,(H,34,35)
InChIKeyRDKNMSBPQNQBFU-UHFFFAOYSA-N
MW468.56 g/mol
LogP6.67
Rot. Bonds5

About 4-(3,4-dimethylphenyl)-N-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methylideneamino]phthalazin-1-amine

4-(3,4-dimethylphenyl)-N-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methylideneamino]phthalazin-1-amine (PubChem CID 6815774) has the molecular formula C30H24N6 and a molecular weight of 468.56 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-N-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methylideneamino]phthalazin-1-amine.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-N-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methylideneamino]phthalazin-1-amine
PubChem CID6815774
Molecular FormulaC30H24N6
Molecular Weight468.56 g/mol
Exact Mass468.21
IUPAC Name4-(3,4-dimethylphenyl)-N-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methylideneamino]phthalazin-1-amine
SMILESCc1ccc(-c2nnc(NN=Cc3c(-c4ccccc4)nc4ccccn34)c3ccccc23)cc1C
InChIInChI=1S/C30H24N6/c1-20-15-16-23(18-21(20)2)28-24-12-6-7-13-25(24)30(35-33-28)34-31-19-26-29(22-10-4-3-5-11-22)32-27-14-8-9-17-36(26)27/h3-19H,1-2H3,(H,34,35)
InChIKeyRDKNMSBPQNQBFU-UHFFFAOYSA-N
XLogP6.67
TPSA67.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.56
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-N-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methylideneamino]phthalazin-1-amine?
The IUPAC name of 4-(3,4-dimethylphenyl)-N-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methylideneamino]phthalazin-1-amine (CID 6815774) is 4-(3,4-dimethylphenyl)-N-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methylideneamino]phthalazin-1-amine.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-N-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methylideneamino]phthalazin-1-amine?
The canonical SMILES for 4-(3,4-dimethylphenyl)-N-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methylideneamino]phthalazin-1-amine is Cc1ccc(-c2nnc(NN=Cc3c(-c4ccccc4)nc4ccccn34)c3ccccc23)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)-N-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methylideneamino]phthalazin-1-amine?
The InChIKey is RDKNMSBPQNQBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N6/c1-20-15-16-23(18-21(20)2)28-24-12-6-7-13-25(24)30(35-33-28)34-31-19-26-29(22-10-4-3-5-11-22)32-27-14-8-9-17-36(26)27/h3-19H,1-2H3,(H,34,35).
What are the key properties of 4-(3,4-dimethylphenyl)-N-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methylideneamino]phthalazin-1-amine?
4-(3,4-dimethylphenyl)-N-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methylideneamino]phthalazin-1-amine has a molecular weight of 468.56 g/mol, XLogP of 6.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-N-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methylideneamino]phthalazin-1-amine is sourced from PubChem (CID 6815774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).