8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[3,4-d]pyridazin-5-amine

C21H19FN6O — CID 155239850

IUPAC8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[3,4-d]pyridazin-5-amine
SMILESCc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3cnncc23)n(C)n1
InChIInChI=1S/C21H19FN6O/c1-12-7-19(28(2)27-12)16-9-24-21(17-11-26-25-10-14(16)17)23-8-15-13-5-6-29-20(13)4-3-18(15)22/h3-4,7,9-11H,5-6,8H2,1-2H3,(H,23,24)
InChIKeyUFSNXYLXFAKJQP-UHFFFAOYSA-N
MW390.42 g/mol
LogP3.42
Rot. Bonds4

About 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[3,4-d]pyridazin-5-amine

8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[3,4-d]pyridazin-5-amine (PubChem CID 155239850) has the molecular formula C21H19FN6O and a molecular weight of 390.42 g/mol. Its IUPAC name is 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[3,4-d]pyridazin-5-amine.

Molecular Properties

Compound Name8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[3,4-d]pyridazin-5-amine
PubChem CID155239850
Molecular FormulaC21H19FN6O
Molecular Weight390.42 g/mol
Exact Mass390.16
IUPAC Name8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[3,4-d]pyridazin-5-amine
SMILESCc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3cnncc23)n(C)n1
InChIInChI=1S/C21H19FN6O/c1-12-7-19(28(2)27-12)16-9-24-21(17-11-26-25-10-14(16)17)23-8-15-13-5-6-29-20(13)4-3-18(15)22/h3-4,7,9-11H,5-6,8H2,1-2H3,(H,23,24)
InChIKeyUFSNXYLXFAKJQP-UHFFFAOYSA-N
XLogP3.42
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[3,4-d]pyridazin-5-amine?
The IUPAC name of 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[3,4-d]pyridazin-5-amine (CID 155239850) is 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[3,4-d]pyridazin-5-amine.
What is the SMILES notation for 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[3,4-d]pyridazin-5-amine?
The canonical SMILES for 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[3,4-d]pyridazin-5-amine is Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3cnncc23)n(C)n1.
What is the InChIKey of 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[3,4-d]pyridazin-5-amine?
The InChIKey is UFSNXYLXFAKJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6O/c1-12-7-19(28(2)27-12)16-9-24-21(17-11-26-25-10-14(16)17)23-8-15-13-5-6-29-20(13)4-3-18(15)22/h3-4,7,9-11H,5-6,8H2,1-2H3,(H,23,24).
What are the key properties of 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[3,4-d]pyridazin-5-amine?
8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[3,4-d]pyridazin-5-amine has a molecular weight of 390.42 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[3,4-d]pyridazin-5-amine is sourced from PubChem (CID 155239850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).