7-methyl-4-[7-methyl-4-(piperidin-1-ylmethyl)furo[2,3-c]pyridin-2-yl]chromen-2-one

C24H24N2O3 — CID 71703081

IUPAC7-methyl-4-[7-methyl-4-(piperidin-1-ylmethyl)furo[2,3-c]pyridin-2-yl]chromen-2-one
SMILESCc1ccc2c(-c3cc4c(CN5CCCCC5)cnc(C)c4o3)cc(=O)oc2c1
InChIInChI=1S/C24H24N2O3/c1-15-6-7-18-20(12-23(27)28-21(18)10-15)22-11-19-17(13-25-16(2)24(19)29-22)14-26-8-4-3-5-9-26/h6-7,10-13H,3-5,8-9,14H2,1-2H3
InChIKeyPSZLCYFJPYGSJI-UHFFFAOYSA-N
MW388.47 g/mol
LogP5.20
Rot. Bonds3

About 7-methyl-4-[7-methyl-4-(piperidin-1-ylmethyl)furo[2,3-c]pyridin-2-yl]chromen-2-one

7-methyl-4-[7-methyl-4-(piperidin-1-ylmethyl)furo[2,3-c]pyridin-2-yl]chromen-2-one (PubChem CID 71703081) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 7-methyl-4-[7-methyl-4-(piperidin-1-ylmethyl)furo[2,3-c]pyridin-2-yl]chromen-2-one.

Molecular Properties

Compound Name7-methyl-4-[7-methyl-4-(piperidin-1-ylmethyl)furo[2,3-c]pyridin-2-yl]chromen-2-one
PubChem CID71703081
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name7-methyl-4-[7-methyl-4-(piperidin-1-ylmethyl)furo[2,3-c]pyridin-2-yl]chromen-2-one
SMILESCc1ccc2c(-c3cc4c(CN5CCCCC5)cnc(C)c4o3)cc(=O)oc2c1
InChIInChI=1S/C24H24N2O3/c1-15-6-7-18-20(12-23(27)28-21(18)10-15)22-11-19-17(13-25-16(2)24(19)29-22)14-26-8-4-3-5-9-26/h6-7,10-13H,3-5,8-9,14H2,1-2H3
InChIKeyPSZLCYFJPYGSJI-UHFFFAOYSA-N
XLogP5.20
TPSA59.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 7-methyl-4-[7-methyl-4-(piperidin-1-ylmethyl)furo[2,3-c]pyridin-2-yl]chromen-2-one with MolForge

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Related Compounds

4-[4-(azepan-1-ylmethyl)-7-methylfuro[2,3-c]pyridin-2-yl]-6,7-dimethylchromen-2-one
CID 71709741
7-methyl-4-[7-methyl-4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]furo[2,3-c]pyridin-2-yl]chromen-2-one
CID 71705009
4-[4-(azepan-1-ylmethyl)-7-methylfuro[2,3-c]pyridin-2-yl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one;hydrochloride
CID 71825485
4-[4-[[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]-7-methylfuro[2,3-c]pyridin-2-yl]-7-methylchromen-2-one
CID 97266324
6,7-dimethyl-4-[7-methyl-4-(morpholin-4-ylmethyl)furo[2,3-c]pyridin-2-yl]chromen-2-one
CID 71705186
4-[4-[(2-methoxyethylamino)methyl]-7-methylfuro[2,3-c]pyridin-2-yl]-7-methylchromen-2-one
CID 71827296
8-[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-7-methylfuro[2,3-c]pyridin-2-yl]-[1,3]dioxolo[4,5-g]chromen-6-one;dihydrochloride
CID 71829012
4-[4-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-7-methylfuro[2,3-c]pyridin-2-yl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one
CID 71825554
4-[4-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-7-methylfuro[2,3-c]pyridin-2-yl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one;hydrochloride
CID 71825553
(4-bromophenyl)-[7-methyl-4-(piperidin-1-ylmethyl)furo[2,3-c]pyridin-2-yl]methanone
CID 71704801
7-methyl-4-[[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]methyl]chromen-2-one
CID 34725525
7-methyl-4-[[3-(methylamino)piperidin-1-yl]methyl]chromen-2-one
CID 62547237

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-[7-methyl-4-(piperidin-1-ylmethyl)furo[2,3-c]pyridin-2-yl]chromen-2-one?
The IUPAC name of 7-methyl-4-[7-methyl-4-(piperidin-1-ylmethyl)furo[2,3-c]pyridin-2-yl]chromen-2-one (CID 71703081) is 7-methyl-4-[7-methyl-4-(piperidin-1-ylmethyl)furo[2,3-c]pyridin-2-yl]chromen-2-one.
What is the SMILES notation for 7-methyl-4-[7-methyl-4-(piperidin-1-ylmethyl)furo[2,3-c]pyridin-2-yl]chromen-2-one?
The canonical SMILES for 7-methyl-4-[7-methyl-4-(piperidin-1-ylmethyl)furo[2,3-c]pyridin-2-yl]chromen-2-one is Cc1ccc2c(-c3cc4c(CN5CCCCC5)cnc(C)c4o3)cc(=O)oc2c1.
What is the InChIKey of 7-methyl-4-[7-methyl-4-(piperidin-1-ylmethyl)furo[2,3-c]pyridin-2-yl]chromen-2-one?
The InChIKey is PSZLCYFJPYGSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-15-6-7-18-20(12-23(27)28-21(18)10-15)22-11-19-17(13-25-16(2)24(19)29-22)14-26-8-4-3-5-9-26/h6-7,10-13H,3-5,8-9,14H2,1-2H3.
What are the key properties of 7-methyl-4-[7-methyl-4-(piperidin-1-ylmethyl)furo[2,3-c]pyridin-2-yl]chromen-2-one?
7-methyl-4-[7-methyl-4-(piperidin-1-ylmethyl)furo[2,3-c]pyridin-2-yl]chromen-2-one has a molecular weight of 388.47 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-[7-methyl-4-(piperidin-1-ylmethyl)furo[2,3-c]pyridin-2-yl]chromen-2-one is sourced from PubChem (CID 71703081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).