[1-[4-(2-amino-4-methoxy-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamic acid

C25H25N3O4 — CID 67207619

IUPAC[1-[4-(2-amino-4-methoxy-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamic acid
SMILESCOC1=C(c2ccccc2)N(c2ccc(C3(NC(=O)O)CCC3)cc2)Cc2oc(N)cc21
InChIInChI=1S/C25H25N3O4/c1-31-23-19-14-21(26)32-20(19)15-28(22(23)16-6-3-2-4-7-16)18-10-8-17(9-11-18)25(12-5-13-25)27-24(29)30/h2-4,6-11,14,27H,5,12-13,15,26H2,1H3,(H,29,30)
InChIKeyYNEDCSNADOLQOH-UHFFFAOYSA-N
MW431.49 g/mol
LogP5.00
Rot. Bonds5

About [1-[4-(2-amino-4-methoxy-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamic acid

[1-[4-(2-amino-4-methoxy-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamic acid (PubChem CID 67207619) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is [1-[4-(2-amino-4-methoxy-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamic acid.

Molecular Properties

Compound Name[1-[4-(2-amino-4-methoxy-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamic acid
PubChem CID67207619
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Name[1-[4-(2-amino-4-methoxy-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamic acid
SMILESCOC1=C(c2ccccc2)N(c2ccc(C3(NC(=O)O)CCC3)cc2)Cc2oc(N)cc21
InChIInChI=1S/C25H25N3O4/c1-31-23-19-14-21(26)32-20(19)15-28(22(23)16-6-3-2-4-7-16)18-10-8-17(9-11-18)25(12-5-13-25)27-24(29)30/h2-4,6-11,14,27H,5,12-13,15,26H2,1H3,(H,29,30)
InChIKeyYNEDCSNADOLQOH-UHFFFAOYSA-N
XLogP5.00
TPSA100.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.49
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(2-amino-4-methoxy-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamic acid?
The IUPAC name of [1-[4-(2-amino-4-methoxy-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamic acid (CID 67207619) is [1-[4-(2-amino-4-methoxy-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamic acid.
What is the SMILES notation for [1-[4-(2-amino-4-methoxy-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamic acid?
The canonical SMILES for [1-[4-(2-amino-4-methoxy-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamic acid is COC1=C(c2ccccc2)N(c2ccc(C3(NC(=O)O)CCC3)cc2)Cc2oc(N)cc21.
What is the InChIKey of [1-[4-(2-amino-4-methoxy-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamic acid?
The InChIKey is YNEDCSNADOLQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-31-23-19-14-21(26)32-20(19)15-28(22(23)16-6-3-2-4-7-16)18-10-8-17(9-11-18)25(12-5-13-25)27-24(29)30/h2-4,6-11,14,27H,5,12-13,15,26H2,1H3,(H,29,30).
What are the key properties of [1-[4-(2-amino-4-methoxy-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamic acid?
[1-[4-(2-amino-4-methoxy-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamic acid has a molecular weight of 431.49 g/mol, XLogP of 5.00, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(2-amino-4-methoxy-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamic acid is sourced from PubChem (CID 67207619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).