4-methoxy-N-[[5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)furan-2-yl]methyl]benzamide

C23H19N5O3 — CID 4907253

IUPAC4-methoxy-N-[[5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)furan-2-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2ccc(-c3nnc4c5ccccc5c(C)nn34)o2)cc1
InChIInChI=1S/C23H19N5O3/c1-14-18-5-3-4-6-19(18)21-25-26-22(28(21)27-14)20-12-11-17(31-20)13-24-23(29)15-7-9-16(30-2)10-8-15/h3-12H,13H2,1-2H3,(H,24,29)
InChIKeyQRJNCFLWQLAHDO-UHFFFAOYSA-N
MW413.44 g/mol
LogP3.78
Rot. Bonds5

About 4-methoxy-N-[[5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)furan-2-yl]methyl]benzamide

4-methoxy-N-[[5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)furan-2-yl]methyl]benzamide (PubChem CID 4907253) has the molecular formula C23H19N5O3 and a molecular weight of 413.44 g/mol. Its IUPAC name is 4-methoxy-N-[[5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)furan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[[5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)furan-2-yl]methyl]benzamide
PubChem CID4907253
Molecular FormulaC23H19N5O3
Molecular Weight413.44 g/mol
Exact Mass413.15
IUPAC Name4-methoxy-N-[[5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)furan-2-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2ccc(-c3nnc4c5ccccc5c(C)nn34)o2)cc1
InChIInChI=1S/C23H19N5O3/c1-14-18-5-3-4-6-19(18)21-25-26-22(28(21)27-14)20-12-11-17(31-20)13-24-23(29)15-7-9-16(30-2)10-8-15/h3-12H,13H2,1-2H3,(H,24,29)
InChIKeyQRJNCFLWQLAHDO-UHFFFAOYSA-N
XLogP3.78
TPSA94.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 110734220
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CID 19288632
N-(4-fluorophenyl)-5-[[(4-methoxybenzoyl)amino]methyl]furan-2-carboxamide
CID 22587908
4-methoxy-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319256
4-methoxy-N-[[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4118576
N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-4-methoxybenzamide
CID 17100815
N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 7758239
4-(difluoromethoxy)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]benzamide
CID 18205530
N-[[5-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide
CID 4269475
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 24588403
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3,4-dimethoxybenzamide
CID 24672781

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)furan-2-yl]methyl]benzamide?
The IUPAC name of 4-methoxy-N-[[5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)furan-2-yl]methyl]benzamide (CID 4907253) is 4-methoxy-N-[[5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)furan-2-yl]methyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[[5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)furan-2-yl]methyl]benzamide?
The canonical SMILES for 4-methoxy-N-[[5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)furan-2-yl]methyl]benzamide is COc1ccc(C(=O)NCc2ccc(-c3nnc4c5ccccc5c(C)nn34)o2)cc1.
What is the InChIKey of 4-methoxy-N-[[5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)furan-2-yl]methyl]benzamide?
The InChIKey is QRJNCFLWQLAHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O3/c1-14-18-5-3-4-6-19(18)21-25-26-22(28(21)27-14)20-12-11-17(31-20)13-24-23(29)15-7-9-16(30-2)10-8-15/h3-12H,13H2,1-2H3,(H,24,29).
What are the key properties of 4-methoxy-N-[[5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)furan-2-yl]methyl]benzamide?
4-methoxy-N-[[5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)furan-2-yl]methyl]benzamide has a molecular weight of 413.44 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)furan-2-yl]methyl]benzamide is sourced from PubChem (CID 4907253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).