4-[4-[[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]-7-methylfuro[2,3-c]pyridin-2-yl]-7-methylchromen-2-one

C26H28N2O4 — CID 97266324

IUPAC4-[4-[[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]-7-methylfuro[2,3-c]pyridin-2-yl]-7-methylchromen-2-one
SMILESCc1ccc2c(-c3cc4c(CN5CCCC[C@@H]5CCO)cnc(C)c4o3)cc(=O)oc2c1
InChIInChI=1S/C26H28N2O4/c1-16-6-7-20-22(13-25(30)31-23(20)11-16)24-12-21-18(14-27-17(2)26(21)32-24)15-28-9-4-3-5-19(28)8-10-29/h6-7,11-14,19,29H,3-5,8-10,15H2,1-2H3/t19-/m1/s1
InChIKeySAEDMNIMEGEWFI-LJQANCHMSA-N
MW432.52 g/mol
LogP4.95
Rot. Bonds5

About 4-[4-[[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]-7-methylfuro[2,3-c]pyridin-2-yl]-7-methylchromen-2-one

4-[4-[[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]-7-methylfuro[2,3-c]pyridin-2-yl]-7-methylchromen-2-one (PubChem CID 97266324) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is 4-[4-[[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]-7-methylfuro[2,3-c]pyridin-2-yl]-7-methylchromen-2-one.

Molecular Properties

Compound Name4-[4-[[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]-7-methylfuro[2,3-c]pyridin-2-yl]-7-methylchromen-2-one
PubChem CID97266324
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC Name4-[4-[[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]-7-methylfuro[2,3-c]pyridin-2-yl]-7-methylchromen-2-one
SMILESCc1ccc2c(-c3cc4c(CN5CCCC[C@@H]5CCO)cnc(C)c4o3)cc(=O)oc2c1
InChIInChI=1S/C26H28N2O4/c1-16-6-7-20-22(13-25(30)31-23(20)11-16)24-12-21-18(14-27-17(2)26(21)32-24)15-28-9-4-3-5-19(28)8-10-29/h6-7,11-14,19,29H,3-5,8-10,15H2,1-2H3/t19-/m1/s1
InChIKeySAEDMNIMEGEWFI-LJQANCHMSA-N
XLogP4.95
TPSA79.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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
7-methyl-4-[7-methyl-4-(piperidin-1-ylmethyl)furo[2,3-c]pyridin-2-yl]chromen-2-one
CID 71703081
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]-6,7-dimethylchromen-2-one
CID 71709741
4-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-6,8-dimethylchromen-2-one
CID 3818799
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
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-methoxyethylamino)methyl]-7-methylfuro[2,3-c]pyridin-2-yl]-7-methylchromen-2-one
CID 71827296
6,7-dimethyl-4-[7-methyl-4-(morpholin-4-ylmethyl)furo[2,3-c]pyridin-2-yl]chromen-2-one
CID 71705186
8-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-[1,3]dioxolo[4,5-g]chromen-6-one
CID 3335950
4-[[2-(1-hydroxyethyl)piperidin-1-yl]methyl]-7-methylchromen-2-one
CID 111106970

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]-7-methylfuro[2,3-c]pyridin-2-yl]-7-methylchromen-2-one?
The IUPAC name of 4-[4-[[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]-7-methylfuro[2,3-c]pyridin-2-yl]-7-methylchromen-2-one (CID 97266324) is 4-[4-[[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]-7-methylfuro[2,3-c]pyridin-2-yl]-7-methylchromen-2-one.
What is the SMILES notation for 4-[4-[[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]-7-methylfuro[2,3-c]pyridin-2-yl]-7-methylchromen-2-one?
The canonical SMILES for 4-[4-[[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]-7-methylfuro[2,3-c]pyridin-2-yl]-7-methylchromen-2-one is Cc1ccc2c(-c3cc4c(CN5CCCC[C@@H]5CCO)cnc(C)c4o3)cc(=O)oc2c1.
What is the InChIKey of 4-[4-[[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]-7-methylfuro[2,3-c]pyridin-2-yl]-7-methylchromen-2-one?
The InChIKey is SAEDMNIMEGEWFI-LJQANCHMSA-N. The full InChI is InChI=1S/C26H28N2O4/c1-16-6-7-20-22(13-25(30)31-23(20)11-16)24-12-21-18(14-27-17(2)26(21)32-24)15-28-9-4-3-5-19(28)8-10-29/h6-7,11-14,19,29H,3-5,8-10,15H2,1-2H3/t19-/m1/s1.
What are the key properties of 4-[4-[[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]-7-methylfuro[2,3-c]pyridin-2-yl]-7-methylchromen-2-one?
4-[4-[[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]-7-methylfuro[2,3-c]pyridin-2-yl]-7-methylchromen-2-one has a molecular weight of 432.52 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]-7-methylfuro[2,3-c]pyridin-2-yl]-7-methylchromen-2-one is sourced from PubChem (CID 97266324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).