N-[4-[4-amino-7-[1-(oxan-4-yl)pyrazol-4-yl]furo[3,2-c]pyridin-3-yl]-2-[(4-fluorophenyl)methoxy]phenyl]ethanesulfonamide

C30H30FN5O5S — CID 168945375

IUPACN-[4-[4-amino-7-[1-(oxan-4-yl)pyrazol-4-yl]furo[3,2-c]pyridin-3-yl]-2-[(4-fluorophenyl)methoxy]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(-c2coc3c(-c4cnn(C5CCOCC5)c4)cnc(N)c23)cc1OCc1ccc(F)cc1
InChIInChI=1S/C30H30FN5O5S/c1-2-42(37,38)35-26-8-5-20(13-27(26)40-17-19-3-6-22(31)7-4-19)25-18-41-29-24(15-33-30(32)28(25)29)21-14-34-36(16-21)23-9-11-39-12-10-23/h3-8,13-16,18,23,35H,2,9-12,17H2,1H3,(H2,32,33)
InChIKeyUDRFLTXETDOHTD-UHFFFAOYSA-N
MW591.67 g/mol
LogP5.77
Rot. Bonds9

About N-[4-[4-amino-7-[1-(oxan-4-yl)pyrazol-4-yl]furo[3,2-c]pyridin-3-yl]-2-[(4-fluorophenyl)methoxy]phenyl]ethanesulfonamide

N-[4-[4-amino-7-[1-(oxan-4-yl)pyrazol-4-yl]furo[3,2-c]pyridin-3-yl]-2-[(4-fluorophenyl)methoxy]phenyl]ethanesulfonamide (PubChem CID 168945375) has the molecular formula C30H30FN5O5S and a molecular weight of 591.67 g/mol. Its IUPAC name is N-[4-[4-amino-7-[1-(oxan-4-yl)pyrazol-4-yl]furo[3,2-c]pyridin-3-yl]-2-[(4-fluorophenyl)methoxy]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-[4-amino-7-[1-(oxan-4-yl)pyrazol-4-yl]furo[3,2-c]pyridin-3-yl]-2-[(4-fluorophenyl)methoxy]phenyl]ethanesulfonamide
PubChem CID168945375
Molecular FormulaC30H30FN5O5S
Molecular Weight591.67 g/mol
Exact Mass591.20
IUPAC NameN-[4-[4-amino-7-[1-(oxan-4-yl)pyrazol-4-yl]furo[3,2-c]pyridin-3-yl]-2-[(4-fluorophenyl)methoxy]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(-c2coc3c(-c4cnn(C5CCOCC5)c4)cnc(N)c23)cc1OCc1ccc(F)cc1
InChIInChI=1S/C30H30FN5O5S/c1-2-42(37,38)35-26-8-5-20(13-27(26)40-17-19-3-6-22(31)7-4-19)25-18-41-29-24(15-33-30(32)28(25)29)21-14-34-36(16-21)23-9-11-39-12-10-23/h3-8,13-16,18,23,35H,2,9-12,17H2,1H3,(H2,32,33)
InChIKeyUDRFLTXETDOHTD-UHFFFAOYSA-N
XLogP5.77
TPSA134.50 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.67
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[4-[4-amino-7-[1-(oxan-4-yl)pyrazol-4-yl]furo[3,2-c]pyridin-3-yl]-2-[(4-fluorophenyl)methoxy]phenyl]ethanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-amino-7-[1-(oxan-4-yl)pyrazol-4-yl]furo[3,2-c]pyridin-3-yl]-2-[(4-fluorophenyl)methoxy]phenyl]ethanesulfonamide?
The IUPAC name of N-[4-[4-amino-7-[1-(oxan-4-yl)pyrazol-4-yl]furo[3,2-c]pyridin-3-yl]-2-[(4-fluorophenyl)methoxy]phenyl]ethanesulfonamide (CID 168945375) is N-[4-[4-amino-7-[1-(oxan-4-yl)pyrazol-4-yl]furo[3,2-c]pyridin-3-yl]-2-[(4-fluorophenyl)methoxy]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-[4-amino-7-[1-(oxan-4-yl)pyrazol-4-yl]furo[3,2-c]pyridin-3-yl]-2-[(4-fluorophenyl)methoxy]phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-[4-amino-7-[1-(oxan-4-yl)pyrazol-4-yl]furo[3,2-c]pyridin-3-yl]-2-[(4-fluorophenyl)methoxy]phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(-c2coc3c(-c4cnn(C5CCOCC5)c4)cnc(N)c23)cc1OCc1ccc(F)cc1.
What is the InChIKey of N-[4-[4-amino-7-[1-(oxan-4-yl)pyrazol-4-yl]furo[3,2-c]pyridin-3-yl]-2-[(4-fluorophenyl)methoxy]phenyl]ethanesulfonamide?
The InChIKey is UDRFLTXETDOHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30FN5O5S/c1-2-42(37,38)35-26-8-5-20(13-27(26)40-17-19-3-6-22(31)7-4-19)25-18-41-29-24(15-33-30(32)28(25)29)21-14-34-36(16-21)23-9-11-39-12-10-23/h3-8,13-16,18,23,35H,2,9-12,17H2,1H3,(H2,32,33).
What are the key properties of N-[4-[4-amino-7-[1-(oxan-4-yl)pyrazol-4-yl]furo[3,2-c]pyridin-3-yl]-2-[(4-fluorophenyl)methoxy]phenyl]ethanesulfonamide?
N-[4-[4-amino-7-[1-(oxan-4-yl)pyrazol-4-yl]furo[3,2-c]pyridin-3-yl]-2-[(4-fluorophenyl)methoxy]phenyl]ethanesulfonamide has a molecular weight of 591.67 g/mol, XLogP of 5.77, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-amino-7-[1-(oxan-4-yl)pyrazol-4-yl]furo[3,2-c]pyridin-3-yl]-2-[(4-fluorophenyl)methoxy]phenyl]ethanesulfonamide is sourced from PubChem (CID 168945375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).