7-(1-benzyl-2-methylindol-3-yl)-7-[4-(diethylamino)-2-methylphenyl]furo[3,4-b]pyridin-5-one

C34H33N3O2 — CID 18998069

IUPAC7-(1-benzyl-2-methylindol-3-yl)-7-[4-(diethylamino)-2-methylphenyl]furo[3,4-b]pyridin-5-one
SMILESCCN(CC)c1ccc(C2(c3c(C)n(Cc4ccccc4)c4ccccc34)OC(=O)c3cccnc32)c(C)c1
InChIInChI=1S/C34H33N3O2/c1-5-36(6-2)26-18-19-29(23(3)21-26)34(32-28(33(38)39-34)16-12-20-35-32)31-24(4)37(22-25-13-8-7-9-14-25)30-17-11-10-15-27(30)31/h7-21H,5-6,22H2,1-4H3
InChIKeyANTMYZCQDPTFBB-UHFFFAOYSA-N
MW515.66 g/mol
LogP7.01
Rot. Bonds7

About 7-(1-benzyl-2-methylindol-3-yl)-7-[4-(diethylamino)-2-methylphenyl]furo[3,4-b]pyridin-5-one

7-(1-benzyl-2-methylindol-3-yl)-7-[4-(diethylamino)-2-methylphenyl]furo[3,4-b]pyridin-5-one (PubChem CID 18998069) has the molecular formula C34H33N3O2 and a molecular weight of 515.66 g/mol. Its IUPAC name is 7-(1-benzyl-2-methylindol-3-yl)-7-[4-(diethylamino)-2-methylphenyl]furo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name7-(1-benzyl-2-methylindol-3-yl)-7-[4-(diethylamino)-2-methylphenyl]furo[3,4-b]pyridin-5-one
PubChem CID18998069
Molecular FormulaC34H33N3O2
Molecular Weight515.66 g/mol
Exact Mass515.26
IUPAC Name7-(1-benzyl-2-methylindol-3-yl)-7-[4-(diethylamino)-2-methylphenyl]furo[3,4-b]pyridin-5-one
SMILESCCN(CC)c1ccc(C2(c3c(C)n(Cc4ccccc4)c4ccccc34)OC(=O)c3cccnc32)c(C)c1
InChIInChI=1S/C34H33N3O2/c1-5-36(6-2)26-18-19-29(23(3)21-26)34(32-28(33(38)39-34)16-12-20-35-32)31-24(4)37(22-25-13-8-7-9-14-25)30-17-11-10-15-27(30)31/h7-21H,5-6,22H2,1-4H3
InChIKeyANTMYZCQDPTFBB-UHFFFAOYSA-N
XLogP7.01
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.66
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(1-benzyl-2-methylindol-3-yl)-7-[4-(diethylamino)-2-methylphenyl]furo[3,4-b]pyridin-5-one?
The IUPAC name of 7-(1-benzyl-2-methylindol-3-yl)-7-[4-(diethylamino)-2-methylphenyl]furo[3,4-b]pyridin-5-one (CID 18998069) is 7-(1-benzyl-2-methylindol-3-yl)-7-[4-(diethylamino)-2-methylphenyl]furo[3,4-b]pyridin-5-one.
What is the SMILES notation for 7-(1-benzyl-2-methylindol-3-yl)-7-[4-(diethylamino)-2-methylphenyl]furo[3,4-b]pyridin-5-one?
The canonical SMILES for 7-(1-benzyl-2-methylindol-3-yl)-7-[4-(diethylamino)-2-methylphenyl]furo[3,4-b]pyridin-5-one is CCN(CC)c1ccc(C2(c3c(C)n(Cc4ccccc4)c4ccccc34)OC(=O)c3cccnc32)c(C)c1.
What is the InChIKey of 7-(1-benzyl-2-methylindol-3-yl)-7-[4-(diethylamino)-2-methylphenyl]furo[3,4-b]pyridin-5-one?
The InChIKey is ANTMYZCQDPTFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33N3O2/c1-5-36(6-2)26-18-19-29(23(3)21-26)34(32-28(33(38)39-34)16-12-20-35-32)31-24(4)37(22-25-13-8-7-9-14-25)30-17-11-10-15-27(30)31/h7-21H,5-6,22H2,1-4H3.
What are the key properties of 7-(1-benzyl-2-methylindol-3-yl)-7-[4-(diethylamino)-2-methylphenyl]furo[3,4-b]pyridin-5-one?
7-(1-benzyl-2-methylindol-3-yl)-7-[4-(diethylamino)-2-methylphenyl]furo[3,4-b]pyridin-5-one has a molecular weight of 515.66 g/mol, XLogP of 7.01, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-benzyl-2-methylindol-3-yl)-7-[4-(diethylamino)-2-methylphenyl]furo[3,4-b]pyridin-5-one is sourced from PubChem (CID 18998069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).