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

C26H26N2O4 — CID 67207303

IUPAC[1-[4-(4-methoxy-2-methyl-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(C)cc21
InChIInChI=1S/C26H26N2O4/c1-17-15-21-22(32-17)16-28(23(24(21)31-2)18-7-4-3-5-8-18)20-11-9-19(10-12-20)26(13-6-14-26)27-25(29)30/h3-5,7-12,15,27H,6,13-14,16H2,1-2H3,(H,29,30)
InChIKeyKKPKVNYSAYDNCD-UHFFFAOYSA-N
MW430.50 g/mol
LogP5.73
Rot. Bonds5

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

[1-[4-(4-methoxy-2-methyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamic acid (PubChem CID 67207303) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is [1-[4-(4-methoxy-2-methyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamic acid.

Molecular Properties

Compound Name[1-[4-(4-methoxy-2-methyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamic acid
PubChem CID67207303
Molecular FormulaC26H26N2O4
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC Name[1-[4-(4-methoxy-2-methyl-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(C)cc21
InChIInChI=1S/C26H26N2O4/c1-17-15-21-22(32-17)16-28(23(24(21)31-2)18-7-4-3-5-8-18)20-11-9-19(10-12-20)26(13-6-14-26)27-25(29)30/h3-5,7-12,15,27H,6,13-14,16H2,1-2H3,(H,29,30)
InChIKeyKKPKVNYSAYDNCD-UHFFFAOYSA-N
XLogP5.73
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.50
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-[4-(4-methoxy-2-methyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamic acid 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 [1-[4-(4-methoxy-2-methyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamic acid?
The IUPAC name of [1-[4-(4-methoxy-2-methyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamic acid (CID 67207303) is [1-[4-(4-methoxy-2-methyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamic acid.
What is the SMILES notation for [1-[4-(4-methoxy-2-methyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamic acid?
The canonical SMILES for [1-[4-(4-methoxy-2-methyl-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(C)cc21.
What is the InChIKey of [1-[4-(4-methoxy-2-methyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamic acid?
The InChIKey is KKPKVNYSAYDNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4/c1-17-15-21-22(32-17)16-28(23(24(21)31-2)18-7-4-3-5-8-18)20-11-9-19(10-12-20)26(13-6-14-26)27-25(29)30/h3-5,7-12,15,27H,6,13-14,16H2,1-2H3,(H,29,30).
What are the key properties of [1-[4-(4-methoxy-2-methyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamic acid?
[1-[4-(4-methoxy-2-methyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamic acid has a molecular weight of 430.50 g/mol, XLogP of 5.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(4-methoxy-2-methyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamic acid is sourced from PubChem (CID 67207303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).