7-[2-cyclohexyloxy-4-(diethylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one

C34H39N3O3 — CID 14177723

IUPAC7-[2-cyclohexyloxy-4-(diethylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
SMILESCCN(CC)c1ccc(C2(c3c(C)n(CC)c4ccccc34)OC(=O)c3cccnc32)c(OC2CCCCC2)c1
InChIInChI=1S/C34H39N3O3/c1-5-36(6-2)24-19-20-28(30(22-24)39-25-14-9-8-10-15-25)34(32-27(33(38)40-34)17-13-21-35-32)31-23(4)37(7-3)29-18-12-11-16-26(29)31/h11-13,16-22,25H,5-10,14-15H2,1-4H3
InChIKeyRFADXDHLVFZIJX-UHFFFAOYSA-N
MW537.70 g/mol
LogP7.38
Rot. Bonds8

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

7-[2-cyclohexyloxy-4-(diethylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one (PubChem CID 14177723) has the molecular formula C34H39N3O3 and a molecular weight of 537.70 g/mol. Its IUPAC name is 7-[2-cyclohexyloxy-4-(diethylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name7-[2-cyclohexyloxy-4-(diethylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
PubChem CID14177723
Molecular FormulaC34H39N3O3
Molecular Weight537.70 g/mol
Exact Mass537.30
IUPAC Name7-[2-cyclohexyloxy-4-(diethylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
SMILESCCN(CC)c1ccc(C2(c3c(C)n(CC)c4ccccc34)OC(=O)c3cccnc32)c(OC2CCCCC2)c1
InChIInChI=1S/C34H39N3O3/c1-5-36(6-2)24-19-20-28(30(22-24)39-25-14-9-8-10-15-25)34(32-27(33(38)40-34)17-13-21-35-32)31-23(4)37(7-3)29-18-12-11-16-26(29)31/h11-13,16-22,25H,5-10,14-15H2,1-4H3
InChIKeyRFADXDHLVFZIJX-UHFFFAOYSA-N
XLogP7.38
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.70
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[2-cyclohexyloxy-4-(diethylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
The IUPAC name of 7-[2-cyclohexyloxy-4-(diethylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one (CID 14177723) is 7-[2-cyclohexyloxy-4-(diethylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one.
What is the SMILES notation for 7-[2-cyclohexyloxy-4-(diethylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
The canonical SMILES for 7-[2-cyclohexyloxy-4-(diethylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one is CCN(CC)c1ccc(C2(c3c(C)n(CC)c4ccccc34)OC(=O)c3cccnc32)c(OC2CCCCC2)c1.
What is the InChIKey of 7-[2-cyclohexyloxy-4-(diethylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
The InChIKey is RFADXDHLVFZIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39N3O3/c1-5-36(6-2)24-19-20-28(30(22-24)39-25-14-9-8-10-15-25)34(32-27(33(38)40-34)17-13-21-35-32)31-23(4)37(7-3)29-18-12-11-16-26(29)31/h11-13,16-22,25H,5-10,14-15H2,1-4H3.
What are the key properties of 7-[2-cyclohexyloxy-4-(diethylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one?
7-[2-cyclohexyloxy-4-(diethylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one has a molecular weight of 537.70 g/mol, XLogP of 7.38, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-cyclohexyloxy-4-(diethylamino)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one is sourced from PubChem (CID 14177723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).