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

C16H22N4O2 — CID 99745162

IUPACN-[(2R)-butan-2-yl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
SMILESCC[C@@H](C)NC(=O)Cn1ccn2nc3c(c2c1=O)CCCC3
InChIInChI=1S/C16H22N4O2/c1-3-11(2)17-14(21)10-19-8-9-20-15(16(19)22)12-6-4-5-7-13(12)18-20/h8-9,11H,3-7,10H2,1-2H3,(H,17,21)/t11-/m1/s1
InChIKeyDCVUWVWSGRBHNV-LLVKDONJSA-N
MW302.38 g/mol
LogP1.29
Rot. Bonds4

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

N-[(2R)-butan-2-yl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide (PubChem CID 99745162) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
PubChem CID99745162
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-[(2R)-butan-2-yl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
SMILESCC[C@@H](C)NC(=O)Cn1ccn2nc3c(c2c1=O)CCCC3
InChIInChI=1S/C16H22N4O2/c1-3-11(2)17-14(21)10-19-8-9-20-15(16(19)22)12-6-4-5-7-13(12)18-20/h8-9,11H,3-7,10H2,1-2H3,(H,17,21)/t11-/m1/s1
InChIKeyDCVUWVWSGRBHNV-LLVKDONJSA-N
XLogP1.29
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
CID 146078367
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-methylphenyl)methyl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
CID 91890117
2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one
CID 91917264
N-[(2-chlorophenyl)methyl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
CID 91890095
N-[(4-ethylphenyl)methyl]-4-[(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)methyl]benzamide
CID 91890317
2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one
CID 91927501
2-(cyclopentylmethyl)-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one
CID 163358238
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-butan-2-yl-2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide
CID 46395084
N-(4-iodophenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
CID 91890240
N-(5-chloro-2-methylphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
CID 91890247

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide?
The IUPAC name of N-[(2R)-butan-2-yl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide (CID 99745162) is N-[(2R)-butan-2-yl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide is CC[C@@H](C)NC(=O)Cn1ccn2nc3c(c2c1=O)CCCC3.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide?
The InChIKey is DCVUWVWSGRBHNV-LLVKDONJSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-3-11(2)17-14(21)10-19-8-9-20-15(16(19)22)12-6-4-5-7-13(12)18-20/h8-9,11H,3-7,10H2,1-2H3,(H,17,21)/t11-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide?
N-[(2R)-butan-2-yl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide has a molecular weight of 302.38 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide is sourced from PubChem (CID 99745162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).