5-[4-(dipropylamino)-2-methylphenyl]-5-(1-methyl-2-phenylindol-3-yl)furo[3,4-b]pyrazin-7-one

C34H34N4O2 — CID 18916362

IUPAC5-[4-(dipropylamino)-2-methylphenyl]-5-(1-methyl-2-phenylindol-3-yl)furo[3,4-b]pyrazin-7-one
SMILESCCCN(CCC)c1ccc(C2(c3c(-c4ccccc4)n(C)c4ccccc34)OC(=O)c3nccnc32)c(C)c1
InChIInChI=1S/C34H34N4O2/c1-5-20-38(21-6-2)25-16-17-27(23(3)22-25)34(32-30(33(39)40-34)35-18-19-36-32)29-26-14-10-11-15-28(26)37(4)31(29)24-12-8-7-9-13-24/h7-19,22H,5-6,20-21H2,1-4H3
InChIKeyUPCPZQPALJSNRM-UHFFFAOYSA-N
MW530.67 g/mol
LogP7.03
Rot. Bonds8

About 5-[4-(dipropylamino)-2-methylphenyl]-5-(1-methyl-2-phenylindol-3-yl)furo[3,4-b]pyrazin-7-one

5-[4-(dipropylamino)-2-methylphenyl]-5-(1-methyl-2-phenylindol-3-yl)furo[3,4-b]pyrazin-7-one (PubChem CID 18916362) has the molecular formula C34H34N4O2 and a molecular weight of 530.67 g/mol. Its IUPAC name is 5-[4-(dipropylamino)-2-methylphenyl]-5-(1-methyl-2-phenylindol-3-yl)furo[3,4-b]pyrazin-7-one.

Molecular Properties

Compound Name5-[4-(dipropylamino)-2-methylphenyl]-5-(1-methyl-2-phenylindol-3-yl)furo[3,4-b]pyrazin-7-one
PubChem CID18916362
Molecular FormulaC34H34N4O2
Molecular Weight530.67 g/mol
Exact Mass530.27
IUPAC Name5-[4-(dipropylamino)-2-methylphenyl]-5-(1-methyl-2-phenylindol-3-yl)furo[3,4-b]pyrazin-7-one
SMILESCCCN(CCC)c1ccc(C2(c3c(-c4ccccc4)n(C)c4ccccc34)OC(=O)c3nccnc32)c(C)c1
InChIInChI=1S/C34H34N4O2/c1-5-20-38(21-6-2)25-16-17-27(23(3)22-25)34(32-30(33(39)40-34)35-18-19-36-32)29-26-14-10-11-15-28(26)37(4)31(29)24-12-8-7-9-13-24/h7-19,22H,5-6,20-21H2,1-4H3
InChIKeyUPCPZQPALJSNRM-UHFFFAOYSA-N
XLogP7.03
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.67
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(dipropylamino)-2-methylphenyl]-5-(1-methyl-2-phenylindol-3-yl)furo[3,4-b]pyrazin-7-one?
The IUPAC name of 5-[4-(dipropylamino)-2-methylphenyl]-5-(1-methyl-2-phenylindol-3-yl)furo[3,4-b]pyrazin-7-one (CID 18916362) is 5-[4-(dipropylamino)-2-methylphenyl]-5-(1-methyl-2-phenylindol-3-yl)furo[3,4-b]pyrazin-7-one.
What is the SMILES notation for 5-[4-(dipropylamino)-2-methylphenyl]-5-(1-methyl-2-phenylindol-3-yl)furo[3,4-b]pyrazin-7-one?
The canonical SMILES for 5-[4-(dipropylamino)-2-methylphenyl]-5-(1-methyl-2-phenylindol-3-yl)furo[3,4-b]pyrazin-7-one is CCCN(CCC)c1ccc(C2(c3c(-c4ccccc4)n(C)c4ccccc34)OC(=O)c3nccnc32)c(C)c1.
What is the InChIKey of 5-[4-(dipropylamino)-2-methylphenyl]-5-(1-methyl-2-phenylindol-3-yl)furo[3,4-b]pyrazin-7-one?
The InChIKey is UPCPZQPALJSNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N4O2/c1-5-20-38(21-6-2)25-16-17-27(23(3)22-25)34(32-30(33(39)40-34)35-18-19-36-32)29-26-14-10-11-15-28(26)37(4)31(29)24-12-8-7-9-13-24/h7-19,22H,5-6,20-21H2,1-4H3.
What are the key properties of 5-[4-(dipropylamino)-2-methylphenyl]-5-(1-methyl-2-phenylindol-3-yl)furo[3,4-b]pyrazin-7-one?
5-[4-(dipropylamino)-2-methylphenyl]-5-(1-methyl-2-phenylindol-3-yl)furo[3,4-b]pyrazin-7-one has a molecular weight of 530.67 g/mol, XLogP of 7.03, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dipropylamino)-2-methylphenyl]-5-(1-methyl-2-phenylindol-3-yl)furo[3,4-b]pyrazin-7-one is sourced from PubChem (CID 18916362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).