5,5-bis[4-(diethylamino)-2-propan-2-ylphenyl]furo[3,4-b]pyrazin-7-one

C32H42N4O2 — CID 139663973

IUPAC5,5-bis[4-(diethylamino)-2-propan-2-ylphenyl]furo[3,4-b]pyrazin-7-one
SMILESCCN(CC)c1ccc(C2(c3ccc(N(CC)CC)cc3C(C)C)OC(=O)c3nccnc32)c(C(C)C)c1
InChIInChI=1S/C32H42N4O2/c1-9-35(10-2)23-13-15-27(25(19-23)21(5)6)32(30-29(31(37)38-32)33-17-18-34-30)28-16-14-24(36(11-3)12-4)20-26(28)22(7)8/h13-22H,9-12H2,1-8H3
InChIKeyDXAKUUIVYQSKBQ-UHFFFAOYSA-N
MW514.71 g/mol
LogP6.88
Rot. Bonds10

About 5,5-bis[4-(diethylamino)-2-propan-2-ylphenyl]furo[3,4-b]pyrazin-7-one

5,5-bis[4-(diethylamino)-2-propan-2-ylphenyl]furo[3,4-b]pyrazin-7-one (PubChem CID 139663973) has the molecular formula C32H42N4O2 and a molecular weight of 514.71 g/mol. Its IUPAC name is 5,5-bis[4-(diethylamino)-2-propan-2-ylphenyl]furo[3,4-b]pyrazin-7-one.

Molecular Properties

Compound Name5,5-bis[4-(diethylamino)-2-propan-2-ylphenyl]furo[3,4-b]pyrazin-7-one
PubChem CID139663973
Molecular FormulaC32H42N4O2
Molecular Weight514.71 g/mol
Exact Mass514.33
IUPAC Name5,5-bis[4-(diethylamino)-2-propan-2-ylphenyl]furo[3,4-b]pyrazin-7-one
SMILESCCN(CC)c1ccc(C2(c3ccc(N(CC)CC)cc3C(C)C)OC(=O)c3nccnc32)c(C(C)C)c1
InChIInChI=1S/C32H42N4O2/c1-9-35(10-2)23-13-15-27(25(19-23)21(5)6)32(30-29(31(37)38-32)33-17-18-34-30)28-16-14-24(36(11-3)12-4)20-26(28)22(7)8/h13-22H,9-12H2,1-8H3
InChIKeyDXAKUUIVYQSKBQ-UHFFFAOYSA-N
XLogP6.88
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.71
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}

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Related Compounds

5-(1-butyl-2-phenylindol-3-yl)-5-[4-(diethylamino)-2-ethylphenyl]furo[3,4-b]pyrazin-7-one
CID 18916363
5,5-bis[4-(diethylamino)phenyl]-4-methylfuro[3,4-b]pyridin-7-one
CID 139669536
5-[4-(diethylamino)phenyl]-5-(N-phenylanilino)furo[3,4-b]pyrazin-7-one
CID 20534319
3,3-bis[4-(diethylamino)-2-ethylsulfanylphenyl]-2-benzofuran-1-one;7,7-bis[4-(diethylamino)-2-ethylsulfanylphenyl]furo[3,4-b]pyridin-5-one;3-[4-(diethylamino)-2-ethylsulfanylphenyl]-3-[4-(diethylamino)phenyl]-2-benzofuran-1-one
CID 161087382
7-[4-(diethylamino)-2-nitrophenyl]-7-[4-(diethylamino)phenyl]furo[3,4-b]pyridin-5-one
CID 139642782
7,7-bis[4-(diethylamino)-2-methoxyphenyl]-3-ethylfuro[3,4-b]pyridin-5-one
CID 139612004
5-[4-(dipropylamino)-2-methylphenyl]-5-(1-methyl-2-phenylindol-3-yl)furo[3,4-b]pyrazin-7-one
CID 18916362
7,7-bis[4-(dipropylamino)-2-ethoxyphenyl]furo[3,4-b]pyridin-5-one
CID 139834048
7-[4-(diethylamino)-2-nitrophenyl]-7-[4-(dimethylamino)phenyl]furo[3,4-b]pyridin-5-one
CID 139642804
7,7-bis[4-(dibutylamino)-2-methylphenyl]furo[3,4-b]pyridin-5-one
CID 139790074
7-[4-(diethylamino)-2-ethoxyphenyl]-7-(1-ethylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 68847413
7-[4-(diethylamino)-2-ethoxynaphthalen-1-yl]-7-[4-(diethylamino)-2-ethoxyphenyl]furo[3,4-b]pyridin-5-one
CID 20622255

Frequently Asked Questions

What is the IUPAC name of 5,5-bis[4-(diethylamino)-2-propan-2-ylphenyl]furo[3,4-b]pyrazin-7-one?
The IUPAC name of 5,5-bis[4-(diethylamino)-2-propan-2-ylphenyl]furo[3,4-b]pyrazin-7-one (CID 139663973) is 5,5-bis[4-(diethylamino)-2-propan-2-ylphenyl]furo[3,4-b]pyrazin-7-one.
What is the SMILES notation for 5,5-bis[4-(diethylamino)-2-propan-2-ylphenyl]furo[3,4-b]pyrazin-7-one?
The canonical SMILES for 5,5-bis[4-(diethylamino)-2-propan-2-ylphenyl]furo[3,4-b]pyrazin-7-one is CCN(CC)c1ccc(C2(c3ccc(N(CC)CC)cc3C(C)C)OC(=O)c3nccnc32)c(C(C)C)c1.
What is the InChIKey of 5,5-bis[4-(diethylamino)-2-propan-2-ylphenyl]furo[3,4-b]pyrazin-7-one?
The InChIKey is DXAKUUIVYQSKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N4O2/c1-9-35(10-2)23-13-15-27(25(19-23)21(5)6)32(30-29(31(37)38-32)33-17-18-34-30)28-16-14-24(36(11-3)12-4)20-26(28)22(7)8/h13-22H,9-12H2,1-8H3.
What are the key properties of 5,5-bis[4-(diethylamino)-2-propan-2-ylphenyl]furo[3,4-b]pyrazin-7-one?
5,5-bis[4-(diethylamino)-2-propan-2-ylphenyl]furo[3,4-b]pyrazin-7-one has a molecular weight of 514.71 g/mol, XLogP of 6.88, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis[4-(diethylamino)-2-propan-2-ylphenyl]furo[3,4-b]pyrazin-7-one is sourced from PubChem (CID 139663973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).