6-[7-[3-cyano-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]furo[3,2-b]pyridin-2-yl]-5-methoxy-N-(3-oxabicyclo[4.1.0]heptan-6-yl)pyridine-3-carboxamide

C31H28FN5O4 — CID 134565879

IUPAC6-[7-[3-cyano-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]furo[3,2-b]pyridin-2-yl]-5-methoxy-N-(3-oxabicyclo[4.1.0]heptan-6-yl)pyridine-3-carboxamide
SMILESCOc1cc(C(=O)NC23CCOCC2C3)cnc1-c1cc2nccc(-c3ccc(N4CC[C@@H](F)C4)c(C#N)c3)c2o1
InChIInChI=1S/C31H28FN5O4/c1-39-26-11-20(30(38)36-31-6-9-40-17-21(31)13-31)15-35-28(26)27-12-24-29(41-27)23(4-7-34-24)18-2-3-25(19(10-18)14-33)37-8-5-22(32)16-37/h2-4,7,10-12,15,21-22H,5-6,8-9,13,16-17H2,1H3,(H,36,38)/t21?,22-,31?/m1/s1
InChIKeyPHCPHCVGAYHZIP-ODZFHWCTSA-N
MW553.59 g/mol
LogP4.89
Rot. Bonds6

About 6-[7-[3-cyano-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]furo[3,2-b]pyridin-2-yl]-5-methoxy-N-(3-oxabicyclo[4.1.0]heptan-6-yl)pyridine-3-carboxamide

6-[7-[3-cyano-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]furo[3,2-b]pyridin-2-yl]-5-methoxy-N-(3-oxabicyclo[4.1.0]heptan-6-yl)pyridine-3-carboxamide (PubChem CID 134565879) has the molecular formula C31H28FN5O4 and a molecular weight of 553.59 g/mol. Its IUPAC name is 6-[7-[3-cyano-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]furo[3,2-b]pyridin-2-yl]-5-methoxy-N-(3-oxabicyclo[4.1.0]heptan-6-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[7-[3-cyano-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]furo[3,2-b]pyridin-2-yl]-5-methoxy-N-(3-oxabicyclo[4.1.0]heptan-6-yl)pyridine-3-carboxamide
PubChem CID134565879
Molecular FormulaC31H28FN5O4
Molecular Weight553.59 g/mol
Exact Mass553.21
IUPAC Name6-[7-[3-cyano-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]furo[3,2-b]pyridin-2-yl]-5-methoxy-N-(3-oxabicyclo[4.1.0]heptan-6-yl)pyridine-3-carboxamide
SMILESCOc1cc(C(=O)NC23CCOCC2C3)cnc1-c1cc2nccc(-c3ccc(N4CC[C@@H](F)C4)c(C#N)c3)c2o1
InChIInChI=1S/C31H28FN5O4/c1-39-26-11-20(30(38)36-31-6-9-40-17-21(31)13-31)15-35-28(26)27-12-24-29(41-27)23(4-7-34-24)18-2-3-25(19(10-18)14-33)37-8-5-22(32)16-37/h2-4,7,10-12,15,21-22H,5-6,8-9,13,16-17H2,1H3,(H,36,38)/t21?,22-,31?/m1/s1
InChIKeyPHCPHCVGAYHZIP-ODZFHWCTSA-N
XLogP4.89
TPSA113.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.59
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[7-[3-cyano-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]furo[3,2-b]pyridin-2-yl]-5-methoxy-N-(3-oxabicyclo[4.1.0]heptan-6-yl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[7-[3-cyano-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]furo[3,2-b]pyridin-2-yl]-5-methoxy-N-(3-oxabicyclo[4.1.0]heptan-6-yl)pyridine-3-carboxamide?
The IUPAC name of 6-[7-[3-cyano-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]furo[3,2-b]pyridin-2-yl]-5-methoxy-N-(3-oxabicyclo[4.1.0]heptan-6-yl)pyridine-3-carboxamide (CID 134565879) is 6-[7-[3-cyano-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]furo[3,2-b]pyridin-2-yl]-5-methoxy-N-(3-oxabicyclo[4.1.0]heptan-6-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[7-[3-cyano-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]furo[3,2-b]pyridin-2-yl]-5-methoxy-N-(3-oxabicyclo[4.1.0]heptan-6-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-[7-[3-cyano-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]furo[3,2-b]pyridin-2-yl]-5-methoxy-N-(3-oxabicyclo[4.1.0]heptan-6-yl)pyridine-3-carboxamide is COc1cc(C(=O)NC23CCOCC2C3)cnc1-c1cc2nccc(-c3ccc(N4CC[C@@H](F)C4)c(C#N)c3)c2o1.
What is the InChIKey of 6-[7-[3-cyano-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]furo[3,2-b]pyridin-2-yl]-5-methoxy-N-(3-oxabicyclo[4.1.0]heptan-6-yl)pyridine-3-carboxamide?
The InChIKey is PHCPHCVGAYHZIP-ODZFHWCTSA-N. The full InChI is InChI=1S/C31H28FN5O4/c1-39-26-11-20(30(38)36-31-6-9-40-17-21(31)13-31)15-35-28(26)27-12-24-29(41-27)23(4-7-34-24)18-2-3-25(19(10-18)14-33)37-8-5-22(32)16-37/h2-4,7,10-12,15,21-22H,5-6,8-9,13,16-17H2,1H3,(H,36,38)/t21?,22-,31?/m1/s1.
What are the key properties of 6-[7-[3-cyano-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]furo[3,2-b]pyridin-2-yl]-5-methoxy-N-(3-oxabicyclo[4.1.0]heptan-6-yl)pyridine-3-carboxamide?
6-[7-[3-cyano-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]furo[3,2-b]pyridin-2-yl]-5-methoxy-N-(3-oxabicyclo[4.1.0]heptan-6-yl)pyridine-3-carboxamide has a molecular weight of 553.59 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-[3-cyano-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]furo[3,2-b]pyridin-2-yl]-5-methoxy-N-(3-oxabicyclo[4.1.0]heptan-6-yl)pyridine-3-carboxamide is sourced from PubChem (CID 134565879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).