N-[(3-methoxyphenyl)methyl]-4-[(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)methyl]benzamide

C26H26N4O3 — CID 91890320

IUPACN-[(3-methoxyphenyl)methyl]-4-[(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)methyl]benzamide
SMILESCOc1cccc(CNC(=O)c2ccc(Cn3ccn4nc5c(c4c3=O)CCCC5)cc2)c1
InChIInChI=1S/C26H26N4O3/c1-33-21-6-4-5-19(15-21)16-27-25(31)20-11-9-18(10-12-20)17-29-13-14-30-24(26(29)32)22-7-2-3-8-23(22)28-30/h4-6,9-15H,2-3,7-8,16-17H2,1H3,(H,27,31)
InChIKeyJWQZRRKNJAHDNF-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.36
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl]-4-[(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)methyl]benzamide

N-[(3-methoxyphenyl)methyl]-4-[(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)methyl]benzamide (PubChem CID 91890320) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-4-[(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-4-[(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)methyl]benzamide
PubChem CID91890320
Molecular FormulaC26H26N4O3
Molecular Weight442.52 g/mol
Exact Mass442.20
IUPAC NameN-[(3-methoxyphenyl)methyl]-4-[(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)methyl]benzamide
SMILESCOc1cccc(CNC(=O)c2ccc(Cn3ccn4nc5c(c4c3=O)CCCC5)cc2)c1
InChIInChI=1S/C26H26N4O3/c1-33-21-6-4-5-19(15-21)16-27-25(31)20-11-9-18(10-12-20)17-29-13-14-30-24(26(29)32)22-7-2-3-8-23(22)28-30/h4-6,9-15H,2-3,7-8,16-17H2,1H3,(H,27,31)
InChIKeyJWQZRRKNJAHDNF-UHFFFAOYSA-N
XLogP3.36
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-fluorophenyl)-4-[(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)methyl]benzamide
CID 91890296
ethane;4-[[6-[(3-methoxyphenyl)methylcarbamoyl]-4-oxoquinazolin-3-yl]methyl]benzoic acid
CID 142804202
4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
CID 61028664
4-formyl-N-[(3-methoxyphenyl)methyl]benzamide
CID 155923762
4-[[(8aR)-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 92721655
N-[(3-methoxyphenyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 35676429
N-[(3-methoxyphenyl)methyl]-4-[(4-oxothieno[3,2-d]triazin-3-yl)methyl]benzamide
CID 22588506
4-(benzotriazol-1-ylmethyl)-N-[(3-methoxyphenyl)methyl]benzamide
CID 9088195
4-[(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)methyl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 50817177
4-[3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 50813814
4-methoxy-N-[[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4118576
N-[(3-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
CID 17254355

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-4-[(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)methyl]benzamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-4-[(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)methyl]benzamide (CID 91890320) is N-[(3-methoxyphenyl)methyl]-4-[(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)methyl]benzamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-4-[(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)methyl]benzamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-4-[(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)methyl]benzamide is COc1cccc(CNC(=O)c2ccc(Cn3ccn4nc5c(c4c3=O)CCCC5)cc2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-4-[(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)methyl]benzamide?
The InChIKey is JWQZRRKNJAHDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3/c1-33-21-6-4-5-19(15-21)16-27-25(31)20-11-9-18(10-12-20)17-29-13-14-30-24(26(29)32)22-7-2-3-8-23(22)28-30/h4-6,9-15H,2-3,7-8,16-17H2,1H3,(H,27,31).
What are the key properties of N-[(3-methoxyphenyl)methyl]-4-[(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)methyl]benzamide?
N-[(3-methoxyphenyl)methyl]-4-[(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)methyl]benzamide has a molecular weight of 442.52 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-4-[(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)methyl]benzamide is sourced from PubChem (CID 91890320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).