4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]benzamide

C33H32F2N4O4 — CID 71679026

IUPAC4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]benzamide
SMILESN#Cc1cc(-c2ccnc3cc(-c4ccc(C(=O)NCCN5CCC(F)(F)CC5)cc4)oc23)ccc1OC1CCOCC1
InChIInChI=1S/C33H32F2N4O4/c34-33(35)10-14-39(15-11-33)16-13-38-32(40)23-3-1-22(2-4-23)30-20-28-31(43-30)27(7-12-37-28)24-5-6-29(25(19-24)21-36)42-26-8-17-41-18-9-26/h1-7,12,19-20,26H,8-11,13-18H2,(H,38,40)
InChIKeyRUDAMLAIUMOJIA-UHFFFAOYSA-N
MW586.64 g/mol
LogP6.05
Rot. Bonds8

About 4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]benzamide

4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]benzamide (PubChem CID 71679026) has the molecular formula C33H32F2N4O4 and a molecular weight of 586.64 g/mol. Its IUPAC name is 4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]benzamide
PubChem CID71679026
Molecular FormulaC33H32F2N4O4
Molecular Weight586.64 g/mol
Exact Mass586.24
IUPAC Name4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]benzamide
SMILESN#Cc1cc(-c2ccnc3cc(-c4ccc(C(=O)NCCN5CCC(F)(F)CC5)cc4)oc23)ccc1OC1CCOCC1
InChIInChI=1S/C33H32F2N4O4/c34-33(35)10-14-39(15-11-33)16-13-38-32(40)23-3-1-22(2-4-23)30-20-28-31(43-30)27(7-12-37-28)24-5-6-29(25(19-24)21-36)42-26-8-17-41-18-9-26/h1-7,12,19-20,26H,8-11,13-18H2,(H,38,40)
InChIKeyRUDAMLAIUMOJIA-UHFFFAOYSA-N
XLogP6.05
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.64
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]benzamide?
The IUPAC name of 4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]benzamide (CID 71679026) is 4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]benzamide?
The canonical SMILES for 4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]benzamide is N#Cc1cc(-c2ccnc3cc(-c4ccc(C(=O)NCCN5CCC(F)(F)CC5)cc4)oc23)ccc1OC1CCOCC1.
What is the InChIKey of 4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]benzamide?
The InChIKey is RUDAMLAIUMOJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32F2N4O4/c34-33(35)10-14-39(15-11-33)16-13-38-32(40)23-3-1-22(2-4-23)30-20-28-31(43-30)27(7-12-37-28)24-5-6-29(25(19-24)21-36)42-26-8-17-41-18-9-26/h1-7,12,19-20,26H,8-11,13-18H2,(H,38,40).
What are the key properties of 4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]benzamide?
4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]benzamide has a molecular weight of 586.64 g/mol, XLogP of 6.05, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]benzamide is sourced from PubChem (CID 71679026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).