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

C22H26N4O2 — CID 99745195

IUPAC2-[(9R)-9-methyl-1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)Cn2ccn3nc4c(c3c2=O)C[C@H](C)CC4)cc1
InChIInChI=1S/C22H26N4O2/c1-14(2)16-5-7-17(8-6-16)23-20(27)13-25-10-11-26-21(22(25)28)18-12-15(3)4-9-19(18)24-26/h5-8,10-11,14-15H,4,9,12-13H2,1-3H3,(H,23,27)/t15-/m1/s1
InChIKeyUBMBDUWVNVNFTC-OAHLLOKOSA-N
MW378.48 g/mol
LogP3.38
Rot. Bonds4

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

2-[(9R)-9-methyl-1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 99745195) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-[(9R)-9-methyl-1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(9R)-9-methyl-1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl]-N-(4-propan-2-ylphenyl)acetamide
PubChem CID99745195
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name2-[(9R)-9-methyl-1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)Cn2ccn3nc4c(c3c2=O)C[C@H](C)CC4)cc1
InChIInChI=1S/C22H26N4O2/c1-14(2)16-5-7-17(8-6-16)23-20(27)13-25-10-11-26-21(22(25)28)18-12-15(3)4-9-19(18)24-26/h5-8,10-11,14-15H,4,9,12-13H2,1-3H3,(H,23,27)/t15-/m1/s1
InChIKeyUBMBDUWVNVNFTC-OAHLLOKOSA-N
XLogP3.38
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
N-(4-methoxyphenyl)-2-[(9R)-9-methyl-1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl]acetamide
CID 99745197
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
2-[2-(4-fluorophenyl)-3-(hydroxymethyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 91887239
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 1150897
2-[4-(2-methylphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 30565603
2-[(13R)-13-methyl-4-oxo-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,7,11(16)-tetraen-5-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 95092384
N-(4-iodophenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
CID 91890240
N-(4-propan-2-ylphenyl)-2-(2-propylimidazol-1-yl)acetamide
CID 71846694
2-(4-hydroxypiperidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 39902284
N-[(2-chlorophenyl)methyl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
CID 91890095

Frequently Asked Questions

What is the IUPAC name of 2-[(9R)-9-methyl-1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl]-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 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) is 2-[(9R)-9-methyl-1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl]-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[(9R)-9-methyl-1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl]-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[(9R)-9-methyl-1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl]-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)Cn2ccn3nc4c(c3c2=O)C[C@H](C)CC4)cc1.
What is the InChIKey of 2-[(9R)-9-methyl-1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl]-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is UBMBDUWVNVNFTC-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-14(2)16-5-7-17(8-6-16)23-20(27)13-25-10-11-26-21(22(25)28)18-12-15(3)4-9-19(18)24-26/h5-8,10-11,14-15H,4,9,12-13H2,1-3H3,(H,23,27)/t15-/m1/s1.
What are the key properties of 2-[(9R)-9-methyl-1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl]-N-(4-propan-2-ylphenyl)acetamide?
2-[(9R)-9-methyl-1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 378.48 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(9R)-9-methyl-1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 99745195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).