7-methyl-4-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine

C30H25N5 — CID 127039719

IUPAC7-methyl-4-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine
SMILESCc1ccc(-n2cc3c(-c4c(C)[nH]c(-c5ccccc5)c4-c4ccccc4)nnc(C)c3n2)cc1
InChIInChI=1S/C30H25N5/c1-19-14-16-24(17-15-19)35-18-25-28(34-35)21(3)32-33-30(25)26-20(2)31-29(23-12-8-5-9-13-23)27(26)22-10-6-4-7-11-22/h4-18,31H,1-3H3
InChIKeyYHVZLNLFIBENSL-UHFFFAOYSA-N
MW455.57 g/mol
LogP7.07
Rot. Bonds4

About 7-methyl-4-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine

7-methyl-4-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine (PubChem CID 127039719) has the molecular formula C30H25N5 and a molecular weight of 455.57 g/mol. Its IUPAC name is 7-methyl-4-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine.

Molecular Properties

Compound Name7-methyl-4-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine
PubChem CID127039719
Molecular FormulaC30H25N5
Molecular Weight455.57 g/mol
Exact Mass455.21
IUPAC Name7-methyl-4-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine
SMILESCc1ccc(-n2cc3c(-c4c(C)[nH]c(-c5ccccc5)c4-c4ccccc4)nnc(C)c3n2)cc1
InChIInChI=1S/C30H25N5/c1-19-14-16-24(17-15-19)35-18-25-28(34-35)21(3)32-33-30(25)26-20(2)31-29(23-12-8-5-9-13-23)27(26)22-10-6-4-7-11-22/h4-18,31H,1-3H3
InChIKeyYHVZLNLFIBENSL-UHFFFAOYSA-N
XLogP7.07
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.57
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine?
The IUPAC name of 7-methyl-4-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine (CID 127039719) is 7-methyl-4-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine.
What is the SMILES notation for 7-methyl-4-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine?
The canonical SMILES for 7-methyl-4-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine is Cc1ccc(-n2cc3c(-c4c(C)[nH]c(-c5ccccc5)c4-c4ccccc4)nnc(C)c3n2)cc1.
What is the InChIKey of 7-methyl-4-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine?
The InChIKey is YHVZLNLFIBENSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N5/c1-19-14-16-24(17-15-19)35-18-25-28(34-35)21(3)32-33-30(25)26-20(2)31-29(23-12-8-5-9-13-23)27(26)22-10-6-4-7-11-22/h4-18,31H,1-3H3.
What are the key properties of 7-methyl-4-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine?
7-methyl-4-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine has a molecular weight of 455.57 g/mol, XLogP of 7.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine is sourced from PubChem (CID 127039719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).