2-[(3R,4R)-4-(5,7-dihydrofuro[3,4-b]pyridin-3-yloxy)-3-fluoropiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

C20H21FN4O3 — CID 129277432

IUPAC2-[(3R,4R)-4-(5,7-dihydrofuro[3,4-b]pyridin-3-yloxy)-3-fluoropiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCc1cc2c(nc1N1CC[C@@H](Oc3cnc4c(c3)COC4)[C@H](F)C1)CNC2=O
InChIInChI=1S/C20H21FN4O3/c1-11-4-14-16(7-23-20(14)26)24-19(11)25-3-2-18(15(21)8-25)28-13-5-12-9-27-10-17(12)22-6-13/h4-6,15,18H,2-3,7-10H2,1H3,(H,23,26)/t15-,18-/m1/s1
InChIKeyHHZJOTVDHNPMIF-CRAIPNDOSA-N
MW384.41 g/mol
LogP2.05
Rot. Bonds3

About 2-[(3R,4R)-4-(5,7-dihydrofuro[3,4-b]pyridin-3-yloxy)-3-fluoropiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

2-[(3R,4R)-4-(5,7-dihydrofuro[3,4-b]pyridin-3-yloxy)-3-fluoropiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (PubChem CID 129277432) has the molecular formula C20H21FN4O3 and a molecular weight of 384.41 g/mol. Its IUPAC name is 2-[(3R,4R)-4-(5,7-dihydrofuro[3,4-b]pyridin-3-yloxy)-3-fluoropiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name2-[(3R,4R)-4-(5,7-dihydrofuro[3,4-b]pyridin-3-yloxy)-3-fluoropiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
PubChem CID129277432
Molecular FormulaC20H21FN4O3
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC Name2-[(3R,4R)-4-(5,7-dihydrofuro[3,4-b]pyridin-3-yloxy)-3-fluoropiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCc1cc2c(nc1N1CC[C@@H](Oc3cnc4c(c3)COC4)[C@H](F)C1)CNC2=O
InChIInChI=1S/C20H21FN4O3/c1-11-4-14-16(7-23-20(14)26)24-19(11)25-3-2-18(15(21)8-25)28-13-5-12-9-27-10-17(12)22-6-13/h4-6,15,18H,2-3,7-10H2,1H3,(H,23,26)/t15-,18-/m1/s1
InChIKeyHHZJOTVDHNPMIF-CRAIPNDOSA-N
XLogP2.05
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(3R,4R)-4-(5,7-dihydrofuro[3,4-b]pyridin-3-yloxy)-3-fluoropiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-4-(5,7-dihydrofuro[3,4-b]pyridin-3-yloxy)-3-fluoropiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 2-[(3R,4R)-4-(5,7-dihydrofuro[3,4-b]pyridin-3-yloxy)-3-fluoropiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (CID 129277432) is 2-[(3R,4R)-4-(5,7-dihydrofuro[3,4-b]pyridin-3-yloxy)-3-fluoropiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 2-[(3R,4R)-4-(5,7-dihydrofuro[3,4-b]pyridin-3-yloxy)-3-fluoropiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 2-[(3R,4R)-4-(5,7-dihydrofuro[3,4-b]pyridin-3-yloxy)-3-fluoropiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is Cc1cc2c(nc1N1CC[C@@H](Oc3cnc4c(c3)COC4)[C@H](F)C1)CNC2=O.
What is the InChIKey of 2-[(3R,4R)-4-(5,7-dihydrofuro[3,4-b]pyridin-3-yloxy)-3-fluoropiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The InChIKey is HHZJOTVDHNPMIF-CRAIPNDOSA-N. The full InChI is InChI=1S/C20H21FN4O3/c1-11-4-14-16(7-23-20(14)26)24-19(11)25-3-2-18(15(21)8-25)28-13-5-12-9-27-10-17(12)22-6-13/h4-6,15,18H,2-3,7-10H2,1H3,(H,23,26)/t15-,18-/m1/s1.
What are the key properties of 2-[(3R,4R)-4-(5,7-dihydrofuro[3,4-b]pyridin-3-yloxy)-3-fluoropiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
2-[(3R,4R)-4-(5,7-dihydrofuro[3,4-b]pyridin-3-yloxy)-3-fluoropiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one has a molecular weight of 384.41 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-4-(5,7-dihydrofuro[3,4-b]pyridin-3-yloxy)-3-fluoropiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 129277432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).