N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrido[3,4-d]pyridazin-5-amine

C26H24FN5O — CID 155235508

IUPACN-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrido[3,4-d]pyridazin-5-amine
SMILESCN1CCc2cc(-c3cnc(NCc4c(F)ccc5c4CCO5)c4cnncc34)ccc2C1
InChIInChI=1S/C26H24FN5O/c1-32-8-6-16-10-17(2-3-18(16)15-32)20-11-28-26(23-14-31-30-13-21(20)23)29-12-22-19-7-9-33-25(19)5-4-24(22)27/h2-5,10-11,13-14H,6-9,12,15H2,1H3,(H,28,29)
InChIKeyOMZIOHPBGRHZKM-UHFFFAOYSA-N
MW441.51 g/mol
LogP4.37
Rot. Bonds4

About N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrido[3,4-d]pyridazin-5-amine

N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrido[3,4-d]pyridazin-5-amine (PubChem CID 155235508) has the molecular formula C26H24FN5O and a molecular weight of 441.51 g/mol. Its IUPAC name is N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrido[3,4-d]pyridazin-5-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrido[3,4-d]pyridazin-5-amine
PubChem CID155235508
Molecular FormulaC26H24FN5O
Molecular Weight441.51 g/mol
Exact Mass441.20
IUPAC NameN-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrido[3,4-d]pyridazin-5-amine
SMILESCN1CCc2cc(-c3cnc(NCc4c(F)ccc5c4CCO5)c4cnncc34)ccc2C1
InChIInChI=1S/C26H24FN5O/c1-32-8-6-16-10-17(2-3-18(16)15-32)20-11-28-26(23-14-31-30-13-21(20)23)29-12-22-19-7-9-33-25(19)5-4-24(22)27/h2-5,10-11,13-14H,6-9,12,15H2,1H3,(H,28,29)
InChIKeyOMZIOHPBGRHZKM-UHFFFAOYSA-N
XLogP4.37
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrido[3,4-d]pyridazin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrido[3,4-d]pyridazin-5-amine?
The IUPAC name of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrido[3,4-d]pyridazin-5-amine (CID 155235508) is N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrido[3,4-d]pyridazin-5-amine.
What is the SMILES notation for N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrido[3,4-d]pyridazin-5-amine?
The canonical SMILES for N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrido[3,4-d]pyridazin-5-amine is CN1CCc2cc(-c3cnc(NCc4c(F)ccc5c4CCO5)c4cnncc34)ccc2C1.
What is the InChIKey of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrido[3,4-d]pyridazin-5-amine?
The InChIKey is OMZIOHPBGRHZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O/c1-32-8-6-16-10-17(2-3-18(16)15-32)20-11-28-26(23-14-31-30-13-21(20)23)29-12-22-19-7-9-33-25(19)5-4-24(22)27/h2-5,10-11,13-14H,6-9,12,15H2,1H3,(H,28,29).
What are the key properties of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrido[3,4-d]pyridazin-5-amine?
N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrido[3,4-d]pyridazin-5-amine has a molecular weight of 441.51 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrido[3,4-d]pyridazin-5-amine is sourced from PubChem (CID 155235508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).