7-(3-fluoropyrrolidin-1-yl)-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one

C19H17FN2O2 — CID 168942156

IUPAC7-(3-fluoropyrrolidin-1-yl)-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one
SMILESCc1ccccc1-c1cc(=O)oc2nc(N3CCC(F)C3)ccc12
InChIInChI=1S/C19H17FN2O2/c1-12-4-2-3-5-14(12)16-10-18(23)24-19-15(16)6-7-17(21-19)22-9-8-13(20)11-22/h2-7,10,13H,8-9,11H2,1H3
InChIKeyAGPTWBLBHSLGDN-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.71
Rot. Bonds2

About 7-(3-fluoropyrrolidin-1-yl)-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one

7-(3-fluoropyrrolidin-1-yl)-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one (PubChem CID 168942156) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is 7-(3-fluoropyrrolidin-1-yl)-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name7-(3-fluoropyrrolidin-1-yl)-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one
PubChem CID168942156
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Name7-(3-fluoropyrrolidin-1-yl)-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one
SMILESCc1ccccc1-c1cc(=O)oc2nc(N3CCC(F)C3)ccc12
InChIInChI=1S/C19H17FN2O2/c1-12-4-2-3-5-14(12)16-10-18(23)24-19-15(16)6-7-17(21-19)22-9-8-13(20)11-22/h2-7,10,13H,8-9,11H2,1H3
InChIKeyAGPTWBLBHSLGDN-UHFFFAOYSA-N
XLogP3.71
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrano[2,3-b][1,8]naphthyridin-2-one
CID 535721
2H-Pyrano(2,3-b)pyridin-2-one, 4-methyl-7-(4-morpholinyl)-
CID 93904
US20250066377, Example 44
CID 168942055
US20250066377, Example 17
CID 168942069
US20250066377, Example 54
CID 168942174
US20250066377, Example 52
CID 168942187
US20250066377, Example 55
CID 168942189
US20250066377, Example 53
CID 169715757
US20250066377, Example 25
CID 175902238
US20250066377, Example 26
CID 176456154
(6S,8R)-6,8,9-trimethyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrano[2,3-b][1,8]naphthyridin-2-one
CID 139064048
7-Dimethylamino-4-methyl-8-azacoumarin
CID 12414433

Frequently Asked Questions

What is the IUPAC name of 7-(3-fluoropyrrolidin-1-yl)-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one?
The IUPAC name of 7-(3-fluoropyrrolidin-1-yl)-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one (CID 168942156) is 7-(3-fluoropyrrolidin-1-yl)-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one.
What is the SMILES notation for 7-(3-fluoropyrrolidin-1-yl)-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one?
The canonical SMILES for 7-(3-fluoropyrrolidin-1-yl)-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one is Cc1ccccc1-c1cc(=O)oc2nc(N3CCC(F)C3)ccc12.
What is the InChIKey of 7-(3-fluoropyrrolidin-1-yl)-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one?
The InChIKey is AGPTWBLBHSLGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-12-4-2-3-5-14(12)16-10-18(23)24-19-15(16)6-7-17(21-19)22-9-8-13(20)11-22/h2-7,10,13H,8-9,11H2,1H3.
What are the key properties of 7-(3-fluoropyrrolidin-1-yl)-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one?
7-(3-fluoropyrrolidin-1-yl)-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one has a molecular weight of 324.36 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluoropyrrolidin-1-yl)-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one is sourced from PubChem (CID 168942156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).