7-[4-(diethylamino)-2-methyl-1H-indol-3-yl]-7H-furo[3,4-b]pyridin-5-one

C20H21N3O2 — CID 150744116

IUPAC7-[4-(diethylamino)-2-methyl-1H-indol-3-yl]-7H-furo[3,4-b]pyridin-5-one
SMILESCCN(CC)c1cccc2[nH]c(C)c(C3OC(=O)c4cccnc43)c12
InChIInChI=1S/C20H21N3O2/c1-4-23(5-2)15-10-6-9-14-17(15)16(12(3)22-14)19-18-13(20(24)25-19)8-7-11-21-18/h6-11,19,22H,4-5H2,1-3H3
InChIKeyJUMABHVWYJCEIQ-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.98
Rot. Bonds4

About 7-[4-(diethylamino)-2-methyl-1H-indol-3-yl]-7H-furo[3,4-b]pyridin-5-one

7-[4-(diethylamino)-2-methyl-1H-indol-3-yl]-7H-furo[3,4-b]pyridin-5-one (PubChem CID 150744116) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 7-[4-(diethylamino)-2-methyl-1H-indol-3-yl]-7H-furo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name7-[4-(diethylamino)-2-methyl-1H-indol-3-yl]-7H-furo[3,4-b]pyridin-5-one
PubChem CID150744116
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name7-[4-(diethylamino)-2-methyl-1H-indol-3-yl]-7H-furo[3,4-b]pyridin-5-one
SMILESCCN(CC)c1cccc2[nH]c(C)c(C3OC(=O)c4cccnc43)c12
InChIInChI=1S/C20H21N3O2/c1-4-23(5-2)15-10-6-9-14-17(15)16(12(3)22-14)19-18-13(20(24)25-19)8-7-11-21-18/h6-11,19,22H,4-5H2,1-3H3
InChIKeyJUMABHVWYJCEIQ-UHFFFAOYSA-N
XLogP3.98
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tropisetron
CID 656665
Ethyl Beta-Carboline-3-Carboxylate
CID 105078
Methyl 9H-pyrido(3,4-b)indole-3-carboxylate
CID 107704
Propyl beta-carboline-3-carboxylate
CID 123662
Tropisetron hydrochloride
CID 656664
SB 203186
CID 3272300
(3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 1H-indole-3-carboxylic acid ester monohydrochloride
CID 9818540
1,1-Dimethylethyl 9H-pyrido(3,4-b)indole-3-carboxylate
CID 124514
8-Methyl-8-azabicyclo(3.2.1)octan-3-yl 1H-indole-3-carboxylate
CID 5595
Nbbcc
CID 128618
1-Piperidinylethyl-1H-indole-3-carboxylate hydrochloride
CID 9926639
Ethyl Indole-3-carboxylate
CID 247965

Frequently Asked Questions

What is the IUPAC name of 7-[4-(diethylamino)-2-methyl-1H-indol-3-yl]-7H-furo[3,4-b]pyridin-5-one?
The IUPAC name of 7-[4-(diethylamino)-2-methyl-1H-indol-3-yl]-7H-furo[3,4-b]pyridin-5-one (CID 150744116) is 7-[4-(diethylamino)-2-methyl-1H-indol-3-yl]-7H-furo[3,4-b]pyridin-5-one.
What is the SMILES notation for 7-[4-(diethylamino)-2-methyl-1H-indol-3-yl]-7H-furo[3,4-b]pyridin-5-one?
The canonical SMILES for 7-[4-(diethylamino)-2-methyl-1H-indol-3-yl]-7H-furo[3,4-b]pyridin-5-one is CCN(CC)c1cccc2[nH]c(C)c(C3OC(=O)c4cccnc43)c12.
What is the InChIKey of 7-[4-(diethylamino)-2-methyl-1H-indol-3-yl]-7H-furo[3,4-b]pyridin-5-one?
The InChIKey is JUMABHVWYJCEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-4-23(5-2)15-10-6-9-14-17(15)16(12(3)22-14)19-18-13(20(24)25-19)8-7-11-21-18/h6-11,19,22H,4-5H2,1-3H3.
What are the key properties of 7-[4-(diethylamino)-2-methyl-1H-indol-3-yl]-7H-furo[3,4-b]pyridin-5-one?
7-[4-(diethylamino)-2-methyl-1H-indol-3-yl]-7H-furo[3,4-b]pyridin-5-one has a molecular weight of 335.41 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(diethylamino)-2-methyl-1H-indol-3-yl]-7H-furo[3,4-b]pyridin-5-one is sourced from PubChem (CID 150744116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).