N-(5-chloro-2-methylphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide

C20H21ClN4O2 — CID 91890247

IUPACN-(5-chloro-2-methylphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
SMILESCc1ccc(Cl)cc1NC(=O)CCn1ccn2nc3c(c2c1=O)CCCC3
InChIInChI=1S/C20H21ClN4O2/c1-13-6-7-14(21)12-17(13)22-18(26)8-9-24-10-11-25-19(20(24)27)15-4-2-3-5-16(15)23-25/h6-7,10-12H,2-5,8-9H2,1H3,(H,22,26)
InChIKeyKSZOVKNKNPTGDJ-UHFFFAOYSA-N
MW384.87 g/mol
LogP3.37
Rot. Bonds4

About N-(5-chloro-2-methylphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide

N-(5-chloro-2-methylphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide (PubChem CID 91890247) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
PubChem CID91890247
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC NameN-(5-chloro-2-methylphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
SMILESCc1ccc(Cl)cc1NC(=O)CCn1ccn2nc3c(c2c1=O)CCCC3
InChIInChI=1S/C20H21ClN4O2/c1-13-6-7-14(21)12-17(13)22-18(26)8-9-24-10-11-25-19(20(24)27)15-4-2-3-5-16(15)23-25/h6-7,10-12H,2-5,8-9H2,1H3,(H,22,26)
InChIKeyKSZOVKNKNPTGDJ-UHFFFAOYSA-N
XLogP3.37
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-fluoro-2-methylphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
CID 91890245
N-[(4-chlorophenyl)methyl]-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
CID 91890268
N-(4-chloro-2-fluorophenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
CID 146078891
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-(4-iodophenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
CID 91890240
N-(2,5-diethoxyphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
CID 91890227
N-(4-ethoxyphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
CID 91890226
N-(2-chlorophenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
CID 91906900
N-(furan-2-ylmethyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
CID 91917313
N-(3-chloro-4-fluorophenyl)-4-[(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)methyl]benzamide
CID 91890296
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-(5-chloro-2-methylphenyl)-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide
CID 6494626

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide (CID 91890247) is N-(5-chloro-2-methylphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide is Cc1ccc(Cl)cc1NC(=O)CCn1ccn2nc3c(c2c1=O)CCCC3.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide?
The InChIKey is KSZOVKNKNPTGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c1-13-6-7-14(21)12-17(13)22-18(26)8-9-24-10-11-25-19(20(24)27)15-4-2-3-5-16(15)23-25/h6-7,10-12H,2-5,8-9H2,1H3,(H,22,26).
What are the key properties of N-(5-chloro-2-methylphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide?
N-(5-chloro-2-methylphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide has a molecular weight of 384.87 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide is sourced from PubChem (CID 91890247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).