5-(2,3-difluorophenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3-dihydro-2-benzazepine

C22H19F2N3 — CID 66963248

IUPAC5-(2,3-difluorophenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3-dihydro-2-benzazepine
SMILESCc1ccc(-c2ccc3c(c2)CN(C)CC=C3c2cccc(F)c2F)nn1
InChIInChI=1S/C22H19F2N3/c1-14-6-9-21(26-25-14)15-7-8-17-16(12-15)13-27(2)11-10-18(17)19-4-3-5-20(23)22(19)24/h3-10,12H,11,13H2,1-2H3
InChIKeyGFSWVCCPRIZWKH-UHFFFAOYSA-N
MW363.41 g/mol
LogP4.61
Rot. Bonds2

About 5-(2,3-difluorophenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3-dihydro-2-benzazepine

5-(2,3-difluorophenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3-dihydro-2-benzazepine (PubChem CID 66963248) has the molecular formula C22H19F2N3 and a molecular weight of 363.41 g/mol. Its IUPAC name is 5-(2,3-difluorophenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3-dihydro-2-benzazepine.

Molecular Properties

Compound Name5-(2,3-difluorophenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3-dihydro-2-benzazepine
PubChem CID66963248
Molecular FormulaC22H19F2N3
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC Name5-(2,3-difluorophenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3-dihydro-2-benzazepine
SMILESCc1ccc(-c2ccc3c(c2)CN(C)CC=C3c2cccc(F)c2F)nn1
InChIInChI=1S/C22H19F2N3/c1-14-6-9-21(26-25-14)15-7-8-17-16(12-15)13-27(2)11-10-18(17)19-4-3-5-20(23)22(19)24/h3-10,12H,11,13H2,1-2H3
InChIKeyGFSWVCCPRIZWKH-UHFFFAOYSA-N
XLogP4.61
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-difluorophenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3-dihydro-2-benzazepine?
The IUPAC name of 5-(2,3-difluorophenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3-dihydro-2-benzazepine (CID 66963248) is 5-(2,3-difluorophenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3-dihydro-2-benzazepine.
What is the SMILES notation for 5-(2,3-difluorophenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3-dihydro-2-benzazepine?
The canonical SMILES for 5-(2,3-difluorophenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3-dihydro-2-benzazepine is Cc1ccc(-c2ccc3c(c2)CN(C)CC=C3c2cccc(F)c2F)nn1.
What is the InChIKey of 5-(2,3-difluorophenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3-dihydro-2-benzazepine?
The InChIKey is GFSWVCCPRIZWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3/c1-14-6-9-21(26-25-14)15-7-8-17-16(12-15)13-27(2)11-10-18(17)19-4-3-5-20(23)22(19)24/h3-10,12H,11,13H2,1-2H3.
What are the key properties of 5-(2,3-difluorophenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3-dihydro-2-benzazepine?
5-(2,3-difluorophenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3-dihydro-2-benzazepine has a molecular weight of 363.41 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-difluorophenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3-dihydro-2-benzazepine is sourced from PubChem (CID 66963248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).