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'}

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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).