[1-[4-[5-methyl-7-(methylcarbamoyl)-4-oxo-3-phenylfuro[3,2-c]pyridin-2-yl]phenyl]cyclobutyl]carbamic acid

C27H25N3O5 — CID 67206822

IUPAC[1-[4-[5-methyl-7-(methylcarbamoyl)-4-oxo-3-phenylfuro[3,2-c]pyridin-2-yl]phenyl]cyclobutyl]carbamic acid
SMILESCNC(=O)c1cn(C)c(=O)c2c(-c3ccccc3)c(-c3ccc(C4(NC(=O)O)CCC4)cc3)oc12
InChIInChI=1S/C27H25N3O5/c1-28-24(31)19-15-30(2)25(32)21-20(16-7-4-3-5-8-16)22(35-23(19)21)17-9-11-18(12-10-17)27(13-6-14-27)29-26(33)34/h3-5,7-12,15,29H,6,13-14H2,1-2H3,(H,28,31)(H,33,34)
InChIKeyZVUOXUDFZGVOGI-UHFFFAOYSA-N
MW471.51 g/mol
LogP4.47
Rot. Bonds5

About [1-[4-[5-methyl-7-(methylcarbamoyl)-4-oxo-3-phenylfuro[3,2-c]pyridin-2-yl]phenyl]cyclobutyl]carbamic acid

[1-[4-[5-methyl-7-(methylcarbamoyl)-4-oxo-3-phenylfuro[3,2-c]pyridin-2-yl]phenyl]cyclobutyl]carbamic acid (PubChem CID 67206822) has the molecular formula C27H25N3O5 and a molecular weight of 471.51 g/mol. Its IUPAC name is [1-[4-[5-methyl-7-(methylcarbamoyl)-4-oxo-3-phenylfuro[3,2-c]pyridin-2-yl]phenyl]cyclobutyl]carbamic acid.

Molecular Properties

Compound Name[1-[4-[5-methyl-7-(methylcarbamoyl)-4-oxo-3-phenylfuro[3,2-c]pyridin-2-yl]phenyl]cyclobutyl]carbamic acid
PubChem CID67206822
Molecular FormulaC27H25N3O5
Molecular Weight471.51 g/mol
Exact Mass471.18
IUPAC Name[1-[4-[5-methyl-7-(methylcarbamoyl)-4-oxo-3-phenylfuro[3,2-c]pyridin-2-yl]phenyl]cyclobutyl]carbamic acid
SMILESCNC(=O)c1cn(C)c(=O)c2c(-c3ccccc3)c(-c3ccc(C4(NC(=O)O)CCC4)cc3)oc12
InChIInChI=1S/C27H25N3O5/c1-28-24(31)19-15-30(2)25(32)21-20(16-7-4-3-5-8-16)22(35-23(19)21)17-9-11-18(12-10-17)27(13-6-14-27)29-26(33)34/h3-5,7-12,15,29H,6,13-14H2,1-2H3,(H,28,31)(H,33,34)
InChIKeyZVUOXUDFZGVOGI-UHFFFAOYSA-N
XLogP4.47
TPSA113.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[4-[5-methyl-7-(methylcarbamoyl)-4-oxo-3-phenylfuro[3,2-c]pyridin-2-yl]phenyl]cyclobutyl]carbamic acid?
The IUPAC name of [1-[4-[5-methyl-7-(methylcarbamoyl)-4-oxo-3-phenylfuro[3,2-c]pyridin-2-yl]phenyl]cyclobutyl]carbamic acid (CID 67206822) is [1-[4-[5-methyl-7-(methylcarbamoyl)-4-oxo-3-phenylfuro[3,2-c]pyridin-2-yl]phenyl]cyclobutyl]carbamic acid.
What is the SMILES notation for [1-[4-[5-methyl-7-(methylcarbamoyl)-4-oxo-3-phenylfuro[3,2-c]pyridin-2-yl]phenyl]cyclobutyl]carbamic acid?
The canonical SMILES for [1-[4-[5-methyl-7-(methylcarbamoyl)-4-oxo-3-phenylfuro[3,2-c]pyridin-2-yl]phenyl]cyclobutyl]carbamic acid is CNC(=O)c1cn(C)c(=O)c2c(-c3ccccc3)c(-c3ccc(C4(NC(=O)O)CCC4)cc3)oc12.
What is the InChIKey of [1-[4-[5-methyl-7-(methylcarbamoyl)-4-oxo-3-phenylfuro[3,2-c]pyridin-2-yl]phenyl]cyclobutyl]carbamic acid?
The InChIKey is ZVUOXUDFZGVOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O5/c1-28-24(31)19-15-30(2)25(32)21-20(16-7-4-3-5-8-16)22(35-23(19)21)17-9-11-18(12-10-17)27(13-6-14-27)29-26(33)34/h3-5,7-12,15,29H,6,13-14H2,1-2H3,(H,28,31)(H,33,34).
What are the key properties of [1-[4-[5-methyl-7-(methylcarbamoyl)-4-oxo-3-phenylfuro[3,2-c]pyridin-2-yl]phenyl]cyclobutyl]carbamic acid?
[1-[4-[5-methyl-7-(methylcarbamoyl)-4-oxo-3-phenylfuro[3,2-c]pyridin-2-yl]phenyl]cyclobutyl]carbamic acid has a molecular weight of 471.51 g/mol, XLogP of 4.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[5-methyl-7-(methylcarbamoyl)-4-oxo-3-phenylfuro[3,2-c]pyridin-2-yl]phenyl]cyclobutyl]carbamic acid is sourced from PubChem (CID 67206822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).