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

C18H17ClN4O2 — CID 91906900

IUPACN-(2-chlorophenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
SMILESO=C(Cn1ccn2nc3c(c2c1=O)CCCC3)Nc1ccccc1Cl
InChIInChI=1S/C18H17ClN4O2/c19-13-6-2-4-8-15(13)20-16(24)11-22-9-10-23-17(18(22)25)12-5-1-3-7-14(12)21-23/h2,4,6,8-10H,1,3,5,7,11H2,(H,20,24)
InChIKeyPFTLHORPRYWNIR-UHFFFAOYSA-N
MW356.81 g/mol
LogP2.67
Rot. Bonds3

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

N-(2-chlorophenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide (PubChem CID 91906900) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
PubChem CID91906900
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC NameN-(2-chlorophenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
SMILESO=C(Cn1ccn2nc3c(c2c1=O)CCCC3)Nc1ccccc1Cl
InChIInChI=1S/C18H17ClN4O2/c19-13-6-2-4-8-15(13)20-16(24)11-22-9-10-23-17(18(22)25)12-5-1-3-7-14(12)21-23/h2,4,6,8-10H,1,3,5,7,11H2,(H,20,24)
InChIKeyPFTLHORPRYWNIR-UHFFFAOYSA-N
XLogP2.67
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
CID 91890095
N-(4-chloro-2-fluorophenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
CID 146078891
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
N-[(2R)-butan-2-yl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
CID 99745162
N-(2-methoxyethyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
CID 146078367
N-(5-chloro-2-methylphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
CID 91890247
N-[(4-chlorophenyl)methyl]-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
CID 91890268
N-(4-iodophenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
CID 91890240
N-(3-chloro-4-fluorophenyl)-4-[(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)methyl]benzamide
CID 91890296
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-(4-fluorophenyl)-2-(9-methyl-1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
CID 91890183

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide (CID 91906900) is N-(2-chlorophenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide is O=C(Cn1ccn2nc3c(c2c1=O)CCCC3)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide?
The InChIKey is PFTLHORPRYWNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c19-13-6-2-4-8-15(13)20-16(24)11-22-9-10-23-17(18(22)25)12-5-1-3-7-14(12)21-23/h2,4,6,8-10H,1,3,5,7,11H2,(H,20,24).
What are the key properties of N-(2-chlorophenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide?
N-(2-chlorophenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide has a molecular weight of 356.81 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide is sourced from PubChem (CID 91906900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).