5-chloro-2-(3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one

C28H26ClN5O3 — CID 137416241

IUPAC5-chloro-2-(3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one
SMILESO=C1Nc2c(Cl)cc3cc(C(=O)N4CCn5c(-c6ccccc6)cnc5C4)oc3c2C2(CCCCC2)N1
InChIInChI=1S/C28H26ClN5O3/c29-19-13-18-14-21(37-25(18)23-24(19)31-27(36)32-28(23)9-5-2-6-10-28)26(35)33-11-12-34-20(15-30-22(34)16-33)17-7-3-1-4-8-17/h1,3-4,7-8,13-15H,2,5-6,9-12,16H2,(H2,31,32,36)
InChIKeyRRTHFWNWJOYDGA-UHFFFAOYSA-N
MW516.00 g/mol
LogP5.90
Rot. Bonds2

About 5-chloro-2-(3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one

5-chloro-2-(3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one (PubChem CID 137416241) has the molecular formula C28H26ClN5O3 and a molecular weight of 516.00 g/mol. Its IUPAC name is 5-chloro-2-(3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one.

Molecular Properties

Compound Name5-chloro-2-(3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one
PubChem CID137416241
Molecular FormulaC28H26ClN5O3
Molecular Weight516.00 g/mol
Exact Mass515.17
IUPAC Name5-chloro-2-(3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one
SMILESO=C1Nc2c(Cl)cc3cc(C(=O)N4CCn5c(-c6ccccc6)cnc5C4)oc3c2C2(CCCCC2)N1
InChIInChI=1S/C28H26ClN5O3/c29-19-13-18-14-21(37-25(18)23-24(19)31-27(36)32-28(23)9-5-2-6-10-28)26(35)33-11-12-34-20(15-30-22(34)16-33)17-7-3-1-4-8-17/h1,3-4,7-8,13-15H,2,5-6,9-12,16H2,(H2,31,32,36)
InChIKeyRRTHFWNWJOYDGA-UHFFFAOYSA-N
XLogP5.90
TPSA92.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.00
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-chloro-2-(3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one?
The IUPAC name of 5-chloro-2-(3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one (CID 137416241) is 5-chloro-2-(3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one.
What is the SMILES notation for 5-chloro-2-(3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one?
The canonical SMILES for 5-chloro-2-(3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one is O=C1Nc2c(Cl)cc3cc(C(=O)N4CCn5c(-c6ccccc6)cnc5C4)oc3c2C2(CCCCC2)N1.
What is the InChIKey of 5-chloro-2-(3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one?
The InChIKey is RRTHFWNWJOYDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClN5O3/c29-19-13-18-14-21(37-25(18)23-24(19)31-27(36)32-28(23)9-5-2-6-10-28)26(35)33-11-12-34-20(15-30-22(34)16-33)17-7-3-1-4-8-17/h1,3-4,7-8,13-15H,2,5-6,9-12,16H2,(H2,31,32,36).
What are the key properties of 5-chloro-2-(3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one?
5-chloro-2-(3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one has a molecular weight of 516.00 g/mol, XLogP of 5.90, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one is sourced from PubChem (CID 137416241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).