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

C18H16ClFN4O2 — CID 146078891

IUPACN-(4-chloro-2-fluorophenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
SMILESO=C(Cn1ccn2nc3c(c2c1=O)CCCC3)Nc1ccc(Cl)cc1F
InChIInChI=1S/C18H16ClFN4O2/c19-11-5-6-15(13(20)9-11)21-16(25)10-23-7-8-24-17(18(23)26)12-3-1-2-4-14(12)22-24/h5-9H,1-4,10H2,(H,21,25)
InChIKeyWJACHBIOTDMUON-UHFFFAOYSA-N
MW374.80 g/mol
LogP2.81
Rot. Bonds3

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

N-(4-chloro-2-fluorophenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide (PubChem CID 146078891) has the molecular formula C18H16ClFN4O2 and a molecular weight of 374.80 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
PubChem CID146078891
Molecular FormulaC18H16ClFN4O2
Molecular Weight374.80 g/mol
Exact Mass374.09
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
SMILESO=C(Cn1ccn2nc3c(c2c1=O)CCCC3)Nc1ccc(Cl)cc1F
InChIInChI=1S/C18H16ClFN4O2/c19-11-5-6-15(13(20)9-11)21-16(25)10-23-7-8-24-17(18(23)26)12-3-1-2-4-14(12)22-24/h5-9H,1-4,10H2,(H,21,25)
InChIKeyWJACHBIOTDMUON-UHFFFAOYSA-N
XLogP2.81
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.80
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
CID 91906900
N-(5-chloro-2-methylphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
CID 91890247
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-(3-chloro-4-fluorophenyl)-4-[(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)methyl]benzamide
CID 91890296
N-[(2-chlorophenyl)methyl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
CID 91890095
N-[(4-chlorophenyl)methyl]-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
CID 91890268
N-[(4-methylphenyl)methyl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
CID 91890117
N-(5-chloro-2-methylphenyl)-2-(1-oxo-7,8,9,10-tetrahydro-[1,2,4]triazino[4,5-b]indazol-2-yl)acetamide
CID 46366209
N-(2-methoxyethyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
CID 146078367
N-(3-fluoro-4-methylphenyl)-4-[(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)methyl]benzamide
CID 91890297
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-oxo-4,7,8-triazatricyclo[7.5.0.02,7]tetradeca-1,5,8-trien-4-yl)acetamide
CID 91891609
N-(4-iodophenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
CID 91890240

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide (CID 146078891) is N-(4-chloro-2-fluorophenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide is O=C(Cn1ccn2nc3c(c2c1=O)CCCC3)Nc1ccc(Cl)cc1F.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide?
The InChIKey is WJACHBIOTDMUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN4O2/c19-11-5-6-15(13(20)9-11)21-16(25)10-23-7-8-24-17(18(23)26)12-3-1-2-4-14(12)22-24/h5-9H,1-4,10H2,(H,21,25).
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide?
N-(4-chloro-2-fluorophenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide has a molecular weight of 374.80 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide is sourced from PubChem (CID 146078891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).