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

C20H22N4O3 — CID 99745197

IUPACN-(4-methoxyphenyl)-2-[(9R)-9-methyl-1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2ccn3nc4c(c3c2=O)C[C@H](C)CC4)cc1
InChIInChI=1S/C20H22N4O3/c1-13-3-8-17-16(11-13)19-20(26)23(9-10-24(19)22-17)12-18(25)21-14-4-6-15(27-2)7-5-14/h4-7,9-10,13H,3,8,11-12H2,1-2H3,(H,21,25)/t13-/m1/s1
InChIKeySBZSZJMGUMSIJB-CYBMUJFWSA-N
MW366.42 g/mol
LogP2.27
Rot. Bonds4

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

N-(4-methoxyphenyl)-2-[(9R)-9-methyl-1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl]acetamide (PubChem CID 99745197) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[(9R)-9-methyl-1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[(9R)-9-methyl-1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl]acetamide
PubChem CID99745197
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-(4-methoxyphenyl)-2-[(9R)-9-methyl-1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2ccn3nc4c(c3c2=O)C[C@H](C)CC4)cc1
InChIInChI=1S/C20H22N4O3/c1-13-3-8-17-16(11-13)19-20(26)23(9-10-24(19)22-17)12-18(25)21-14-4-6-15(27-2)7-5-14/h4-7,9-10,13H,3,8,11-12H2,1-2H3,(H,21,25)/t13-/m1/s1
InChIKeySBZSZJMGUMSIJB-CYBMUJFWSA-N
XLogP2.27
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluorophenyl)-2-(9-methyl-1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
CID 91890183
2-[(9R)-9-methyl-1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 99745195
N-(1,3-benzodioxol-5-yl)-2-(9-methyl-1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
CID 91890190
N-(4-methylphenyl)-2-(3-oxo-4,7,8-triazatricyclo[7.5.0.02,7]tetradeca-1,5,8-trien-4-yl)acetamide
CID 91891611
N-(4-ethoxyphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
CID 91890226
N-(4-ethylphenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 16875785
2-[(4-methoxyphenyl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one
CID 163358302
2-[2,3-dioxo-4-(2-phenylethyl)pyrazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 22423901
N-(2-chlorophenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
CID 91906900
2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 18591691
N-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 8721630
N-(2-methoxyethyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
CID 146078367

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[(9R)-9-methyl-1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[(9R)-9-methyl-1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl]acetamide (CID 99745197) is N-(4-methoxyphenyl)-2-[(9R)-9-methyl-1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[(9R)-9-methyl-1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[(9R)-9-methyl-1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl]acetamide is COc1ccc(NC(=O)Cn2ccn3nc4c(c3c2=O)C[C@H](C)CC4)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[(9R)-9-methyl-1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl]acetamide?
The InChIKey is SBZSZJMGUMSIJB-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-13-3-8-17-16(11-13)19-20(26)23(9-10-24(19)22-17)12-18(25)21-14-4-6-15(27-2)7-5-14/h4-7,9-10,13H,3,8,11-12H2,1-2H3,(H,21,25)/t13-/m1/s1.
What are the key properties of N-(4-methoxyphenyl)-2-[(9R)-9-methyl-1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl]acetamide?
N-(4-methoxyphenyl)-2-[(9R)-9-methyl-1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl]acetamide has a molecular weight of 366.42 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[(9R)-9-methyl-1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl]acetamide is sourced from PubChem (CID 99745197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).