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

C22H22ClN5O3 — CID 137416193

IUPAC5-chloro-2-(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)N4CCn5ccnc5C4)oc3c2C2(CCCCC2)N1
InChIInChI=1S/C22H22ClN5O3/c23-14-10-13-11-15(20(29)28-9-8-27-7-6-24-16(27)12-28)31-19(13)17-18(14)25-21(30)26-22(17)4-2-1-3-5-22/h6-7,10-11H,1-5,8-9,12H2,(H2,25,26,30)
InChIKeyLWXNZEDLPKJMKO-UHFFFAOYSA-N
MW439.90 g/mol
LogP4.23
Rot. Bonds1

About 5-chloro-2-(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-(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 137416193) has the molecular formula C22H22ClN5O3 and a molecular weight of 439.90 g/mol. Its IUPAC name is 5-chloro-2-(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-(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 CID137416193
Molecular FormulaC22H22ClN5O3
Molecular Weight439.90 g/mol
Exact Mass439.14
IUPAC Name5-chloro-2-(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)N4CCn5ccnc5C4)oc3c2C2(CCCCC2)N1
InChIInChI=1S/C22H22ClN5O3/c23-14-10-13-11-15(20(29)28-9-8-27-7-6-24-16(27)12-28)31-19(13)17-18(14)25-21(30)26-22(17)4-2-1-3-5-22/h6-7,10-11H,1-5,8-9,12H2,(H2,25,26,30)
InChIKeyLWXNZEDLPKJMKO-UHFFFAOYSA-N
XLogP4.23
TPSA92.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.90
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-chloro-2-(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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Related Compounds

US11685745, Example 355
CID 137415848
US11685745, Example 280
CID 137415978
US11685745, Example 334
CID 137416656
US11685745, Example 373
CID 137416673
US11685745, Example 367
CID 137416772
US11685745, Example 324
CID 137415843
US11685745, Example 425
CID 137415851
US11685745, Example 30
CID 137415903
US11685745, Example 504
CID 137415921
US11685745, Example 491
CID 137415941
US11685745, Example 265
CID 137416027
US11685745, Example 297
CID 137416028

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(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-(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 137416193) is 5-chloro-2-(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-(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-(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)N4CCn5ccnc5C4)oc3c2C2(CCCCC2)N1.
What is the InChIKey of 5-chloro-2-(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 LWXNZEDLPKJMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O3/c23-14-10-13-11-15(20(29)28-9-8-27-7-6-24-16(27)12-28)31-19(13)17-18(14)25-21(30)26-22(17)4-2-1-3-5-22/h6-7,10-11H,1-5,8-9,12H2,(H2,25,26,30).
What are the key properties of 5-chloro-2-(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-(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 439.90 g/mol, XLogP of 4.23, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(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 137416193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).