2-[(3,3-difluoropiperidin-1-yl)methyl]-5-methyl-7-[2-(oxan-4-ylmethoxy)-4-pyridinyl]furo[3,2-c]pyridin-4-one

C25H29F2N3O4 — CID 86299511

IUPAC2-[(3,3-difluoropiperidin-1-yl)methyl]-5-methyl-7-[2-(oxan-4-ylmethoxy)-4-pyridinyl]furo[3,2-c]pyridin-4-one
SMILESCn1cc(-c2ccnc(OCC3CCOCC3)c2)c2oc(CN3CCCC(F)(F)C3)cc2c1=O
InChIInChI=1S/C25H29F2N3O4/c1-29-14-21(18-3-7-28-22(11-18)33-15-17-4-9-32-10-5-17)23-20(24(29)31)12-19(34-23)13-30-8-2-6-25(26,27)16-30/h3,7,11-12,14,17H,2,4-6,8-10,13,15-16H2,1H3
InChIKeyXZBPCZMBXNAIQV-UHFFFAOYSA-N
MW473.52 g/mol
LogP4.23
Rot. Bonds6

About 2-[(3,3-difluoropiperidin-1-yl)methyl]-5-methyl-7-[2-(oxan-4-ylmethoxy)-4-pyridinyl]furo[3,2-c]pyridin-4-one

2-[(3,3-difluoropiperidin-1-yl)methyl]-5-methyl-7-[2-(oxan-4-ylmethoxy)-4-pyridinyl]furo[3,2-c]pyridin-4-one (PubChem CID 86299511) has the molecular formula C25H29F2N3O4 and a molecular weight of 473.52 g/mol. Its IUPAC name is 2-[(3,3-difluoropiperidin-1-yl)methyl]-5-methyl-7-[2-(oxan-4-ylmethoxy)-4-pyridinyl]furo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-[(3,3-difluoropiperidin-1-yl)methyl]-5-methyl-7-[2-(oxan-4-ylmethoxy)-4-pyridinyl]furo[3,2-c]pyridin-4-one
PubChem CID86299511
Molecular FormulaC25H29F2N3O4
Molecular Weight473.52 g/mol
Exact Mass473.21
IUPAC Name2-[(3,3-difluoropiperidin-1-yl)methyl]-5-methyl-7-[2-(oxan-4-ylmethoxy)-4-pyridinyl]furo[3,2-c]pyridin-4-one
SMILESCn1cc(-c2ccnc(OCC3CCOCC3)c2)c2oc(CN3CCCC(F)(F)C3)cc2c1=O
InChIInChI=1S/C25H29F2N3O4/c1-29-14-21(18-3-7-28-22(11-18)33-15-17-4-9-32-10-5-17)23-20(24(29)31)12-19(34-23)13-30-8-2-6-25(26,27)16-30/h3,7,11-12,14,17H,2,4-6,8-10,13,15-16H2,1H3
InChIKeyXZBPCZMBXNAIQV-UHFFFAOYSA-N
XLogP4.23
TPSA69.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.52
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-difluoropiperidin-1-yl)methyl]-5-methyl-7-[2-(oxan-4-ylmethoxy)-4-pyridinyl]furo[3,2-c]pyridin-4-one?
The IUPAC name of 2-[(3,3-difluoropiperidin-1-yl)methyl]-5-methyl-7-[2-(oxan-4-ylmethoxy)-4-pyridinyl]furo[3,2-c]pyridin-4-one (CID 86299511) is 2-[(3,3-difluoropiperidin-1-yl)methyl]-5-methyl-7-[2-(oxan-4-ylmethoxy)-4-pyridinyl]furo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-[(3,3-difluoropiperidin-1-yl)methyl]-5-methyl-7-[2-(oxan-4-ylmethoxy)-4-pyridinyl]furo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-[(3,3-difluoropiperidin-1-yl)methyl]-5-methyl-7-[2-(oxan-4-ylmethoxy)-4-pyridinyl]furo[3,2-c]pyridin-4-one is Cn1cc(-c2ccnc(OCC3CCOCC3)c2)c2oc(CN3CCCC(F)(F)C3)cc2c1=O.
What is the InChIKey of 2-[(3,3-difluoropiperidin-1-yl)methyl]-5-methyl-7-[2-(oxan-4-ylmethoxy)-4-pyridinyl]furo[3,2-c]pyridin-4-one?
The InChIKey is XZBPCZMBXNAIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F2N3O4/c1-29-14-21(18-3-7-28-22(11-18)33-15-17-4-9-32-10-5-17)23-20(24(29)31)12-19(34-23)13-30-8-2-6-25(26,27)16-30/h3,7,11-12,14,17H,2,4-6,8-10,13,15-16H2,1H3.
What are the key properties of 2-[(3,3-difluoropiperidin-1-yl)methyl]-5-methyl-7-[2-(oxan-4-ylmethoxy)-4-pyridinyl]furo[3,2-c]pyridin-4-one?
2-[(3,3-difluoropiperidin-1-yl)methyl]-5-methyl-7-[2-(oxan-4-ylmethoxy)-4-pyridinyl]furo[3,2-c]pyridin-4-one has a molecular weight of 473.52 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-difluoropiperidin-1-yl)methyl]-5-methyl-7-[2-(oxan-4-ylmethoxy)-4-pyridinyl]furo[3,2-c]pyridin-4-one is sourced from PubChem (CID 86299511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).