6-(4-ethoxyphenyl)-N-(1H-indazol-5-yl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine

C24H24N6O — CID 11596752

IUPAC6-(4-ethoxyphenyl)-N-(1H-indazol-5-yl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc5[nH]ncc5c4)c3c2C)cc1
InChIInChI=1S/C24H24N6O/c1-5-31-20-9-7-19(8-10-20)30-15(3)22-14(2)27-29-24(23(22)16(30)4)26-18-6-11-21-17(12-18)13-25-28-21/h6-13H,5H2,1-4H3,(H,25,28)(H,26,29)
InChIKeyBTCBHDFRJJQYRE-UHFFFAOYSA-N
MW412.50 g/mol
LogP5.36
Rot. Bonds5

About 6-(4-ethoxyphenyl)-N-(1H-indazol-5-yl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine

6-(4-ethoxyphenyl)-N-(1H-indazol-5-yl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine (PubChem CID 11596752) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-N-(1H-indazol-5-yl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-N-(1H-indazol-5-yl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine
PubChem CID11596752
Molecular FormulaC24H24N6O
Molecular Weight412.50 g/mol
Exact Mass412.20
IUPAC Name6-(4-ethoxyphenyl)-N-(1H-indazol-5-yl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc5[nH]ncc5c4)c3c2C)cc1
InChIInChI=1S/C24H24N6O/c1-5-31-20-9-7-19(8-10-20)30-15(3)22-14(2)27-29-24(23(22)16(30)4)26-18-6-11-21-17(12-18)13-25-28-21/h6-13H,5H2,1-4H3,(H,25,28)(H,26,29)
InChIKeyBTCBHDFRJJQYRE-UHFFFAOYSA-N
XLogP5.36
TPSA80.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.50
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)-N-(1H-indazol-5-yl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine?
The IUPAC name of 6-(4-ethoxyphenyl)-N-(1H-indazol-5-yl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine (CID 11596752) is 6-(4-ethoxyphenyl)-N-(1H-indazol-5-yl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine.
What is the SMILES notation for 6-(4-ethoxyphenyl)-N-(1H-indazol-5-yl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine?
The canonical SMILES for 6-(4-ethoxyphenyl)-N-(1H-indazol-5-yl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine is CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc5[nH]ncc5c4)c3c2C)cc1.
What is the InChIKey of 6-(4-ethoxyphenyl)-N-(1H-indazol-5-yl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine?
The InChIKey is BTCBHDFRJJQYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O/c1-5-31-20-9-7-19(8-10-20)30-15(3)22-14(2)27-29-24(23(22)16(30)4)26-18-6-11-21-17(12-18)13-25-28-21/h6-13H,5H2,1-4H3,(H,25,28)(H,26,29).
What are the key properties of 6-(4-ethoxyphenyl)-N-(1H-indazol-5-yl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine?
6-(4-ethoxyphenyl)-N-(1H-indazol-5-yl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine has a molecular weight of 412.50 g/mol, XLogP of 5.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenyl)-N-(1H-indazol-5-yl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine is sourced from PubChem (CID 11596752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).