6-(4-ethoxy-2-methoxyphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine

C24H30N6O2 — CID 58669948

IUPAC6-(4-ethoxy-2-methoxyphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(NCc4cnn(CC)c4)c3c2C)c(OC)c1
InChIInChI=1S/C24H30N6O2/c1-7-29-14-18(13-26-29)12-25-24-23-17(5)30(16(4)22(23)15(3)27-28-24)20-10-9-19(32-8-2)11-21(20)31-6/h9-11,13-14H,7-8,12H2,1-6H3,(H,25,28)
InChIKeySRVUAYZYVANEOQ-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.58
Rot. Bonds8

About 6-(4-ethoxy-2-methoxyphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine

6-(4-ethoxy-2-methoxyphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine (PubChem CID 58669948) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 6-(4-ethoxy-2-methoxyphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine.

Molecular Properties

Compound Name6-(4-ethoxy-2-methoxyphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine
PubChem CID58669948
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC Name6-(4-ethoxy-2-methoxyphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(NCc4cnn(CC)c4)c3c2C)c(OC)c1
InChIInChI=1S/C24H30N6O2/c1-7-29-14-18(13-26-29)12-25-24-23-17(5)30(16(4)22(23)15(3)27-28-24)20-10-9-19(32-8-2)11-21(20)31-6/h9-11,13-14H,7-8,12H2,1-6H3,(H,25,28)
InChIKeySRVUAYZYVANEOQ-UHFFFAOYSA-N
XLogP4.58
TPSA79.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxy-2-methoxyphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine?
The IUPAC name of 6-(4-ethoxy-2-methoxyphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine (CID 58669948) is 6-(4-ethoxy-2-methoxyphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine.
What is the SMILES notation for 6-(4-ethoxy-2-methoxyphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine?
The canonical SMILES for 6-(4-ethoxy-2-methoxyphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine is CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4cnn(CC)c4)c3c2C)c(OC)c1.
What is the InChIKey of 6-(4-ethoxy-2-methoxyphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine?
The InChIKey is SRVUAYZYVANEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-7-29-14-18(13-26-29)12-25-24-23-17(5)30(16(4)22(23)15(3)27-28-24)20-10-9-19(32-8-2)11-21(20)31-6/h9-11,13-14H,7-8,12H2,1-6H3,(H,25,28).
What are the key properties of 6-(4-ethoxy-2-methoxyphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine?
6-(4-ethoxy-2-methoxyphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine has a molecular weight of 434.54 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxy-2-methoxyphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine is sourced from PubChem (CID 58669948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).