7-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one

C29H27ClN6O3 — CID 58575542

IUPAC7-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESCc1cc2c(cc1C(=O)N1CCc3[nH]nc(-c4ccc(Cl)cc4)c3C1)[nH]c(=O)c1cnc(C3CCOCC3)n12
InChIInChI=1S/C29H27ClN6O3/c1-16-12-24-23(32-28(37)25-14-31-27(36(24)25)18-7-10-39-11-8-18)13-20(16)29(38)35-9-6-22-21(15-35)26(34-33-22)17-2-4-19(30)5-3-17/h2-5,12-14,18H,6-11,15H2,1H3,(H,32,37)(H,33,34)
InChIKeyMYIZZDIEOKGJGD-UHFFFAOYSA-N
MW543.03 g/mol
LogP4.62
Rot. Bonds3

About 7-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one

7-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one (PubChem CID 58575542) has the molecular formula C29H27ClN6O3 and a molecular weight of 543.03 g/mol. Its IUPAC name is 7-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name7-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
PubChem CID58575542
Molecular FormulaC29H27ClN6O3
Molecular Weight543.03 g/mol
Exact Mass542.18
IUPAC Name7-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESCc1cc2c(cc1C(=O)N1CCc3[nH]nc(-c4ccc(Cl)cc4)c3C1)[nH]c(=O)c1cnc(C3CCOCC3)n12
InChIInChI=1S/C29H27ClN6O3/c1-16-12-24-23(32-28(37)25-14-31-27(36(24)25)18-7-10-39-11-8-18)13-20(16)29(38)35-9-6-22-21(15-35)26(34-33-22)17-2-4-19(30)5-3-17/h2-5,12-14,18H,6-11,15H2,1H3,(H,32,37)(H,33,34)
InChIKeyMYIZZDIEOKGJGD-UHFFFAOYSA-N
XLogP4.62
TPSA108.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.03
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one with MolForge

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Related Compounds

7-[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl]-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58575324
8-methyl-1-(oxan-4-yl)-7-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58575507
7-(5-chloro-1,3-dihydroisoindole-2-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 46910392
6-[8-methyl-1-(oxan-4-yl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carbonyl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one
CID 58575395
7-(7-fluoro-3,4-dihydro-1H-isoquinoline-2-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58575009
8-methyl-1-(oxan-4-yl)-7-[5-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58575540
8-methyl-1-(oxan-4-yl)-7-(1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58575500
7-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58575011
8-methyl-7-(4-methyl-1,3-dihydroisoindole-2-carbonyl)-1-(oxolan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58575436
8-methyl-1-(oxan-4-yl)-7-(spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58575561
7-(5-bromo-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58574947
7-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58575017

Frequently Asked Questions

What is the IUPAC name of 7-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 7-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one (CID 58575542) is 7-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 7-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 7-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one is Cc1cc2c(cc1C(=O)N1CCc3[nH]nc(-c4ccc(Cl)cc4)c3C1)[nH]c(=O)c1cnc(C3CCOCC3)n12.
What is the InChIKey of 7-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is MYIZZDIEOKGJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27ClN6O3/c1-16-12-24-23(32-28(37)25-14-31-27(36(24)25)18-7-10-39-11-8-18)13-20(16)29(38)35-9-6-22-21(15-35)26(34-33-22)17-2-4-19(30)5-3-17/h2-5,12-14,18H,6-11,15H2,1H3,(H,32,37)(H,33,34).
What are the key properties of 7-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
7-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 543.03 g/mol, XLogP of 4.62, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 58575542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).