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

C27H29N3O5 — CID 67207322

IUPAC[1-[4-[2-(2-hydroxyethylamino)-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(NCCO)cc21
InChIInChI=1S/C27H29N3O5/c1-34-25-21-16-23(28-14-15-31)35-22(21)17-30(24(25)18-6-3-2-4-7-18)20-10-8-19(9-11-20)27(12-5-13-27)29-26(32)33/h2-4,6-11,16,28-29,31H,5,12-15,17H2,1H3,(H,32,33)
InChIKeyYJSQXBNQIIARTH-UHFFFAOYSA-N
MW475.55 g/mol
LogP4.82
Rot. Bonds8

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

[1-[4-[2-(2-hydroxyethylamino)-4-methoxy-5-phenyl-7H-furo[2,3-c]pyridin-6-yl]phenyl]cyclobutyl]carbamic acid (PubChem CID 67207322) has the molecular formula C27H29N3O5 and a molecular weight of 475.55 g/mol. Its IUPAC name is [1-[4-[2-(2-hydroxyethylamino)-4-methoxy-5-phenyl-7H-furo[2,3-c]pyridin-6-yl]phenyl]cyclobutyl]carbamic acid.

Molecular Properties

Compound Name[1-[4-[2-(2-hydroxyethylamino)-4-methoxy-5-phenyl-7H-furo[2,3-c]pyridin-6-yl]phenyl]cyclobutyl]carbamic acid
PubChem CID67207322
Molecular FormulaC27H29N3O5
Molecular Weight475.55 g/mol
Exact Mass475.21
IUPAC Name[1-[4-[2-(2-hydroxyethylamino)-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(NCCO)cc21
InChIInChI=1S/C27H29N3O5/c1-34-25-21-16-23(28-14-15-31)35-22(21)17-30(24(25)18-6-3-2-4-7-18)20-10-8-19(9-11-20)27(12-5-13-27)29-26(32)33/h2-4,6-11,16,28-29,31H,5,12-15,17H2,1H3,(H,32,33)
InChIKeyYJSQXBNQIIARTH-UHFFFAOYSA-N
XLogP4.82
TPSA107.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 54.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[4-[2-(2-hydroxyethylamino)-4-methoxy-5-phenyl-7H-furo[2,3-c]pyridin-6-yl]phenyl]cyclobutyl]carbamic acid?
The IUPAC name of [1-[4-[2-(2-hydroxyethylamino)-4-methoxy-5-phenyl-7H-furo[2,3-c]pyridin-6-yl]phenyl]cyclobutyl]carbamic acid (CID 67207322) is [1-[4-[2-(2-hydroxyethylamino)-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-(2-hydroxyethylamino)-4-methoxy-5-phenyl-7H-furo[2,3-c]pyridin-6-yl]phenyl]cyclobutyl]carbamic acid?
The canonical SMILES for [1-[4-[2-(2-hydroxyethylamino)-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(NCCO)cc21.
What is the InChIKey of [1-[4-[2-(2-hydroxyethylamino)-4-methoxy-5-phenyl-7H-furo[2,3-c]pyridin-6-yl]phenyl]cyclobutyl]carbamic acid?
The InChIKey is YJSQXBNQIIARTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O5/c1-34-25-21-16-23(28-14-15-31)35-22(21)17-30(24(25)18-6-3-2-4-7-18)20-10-8-19(9-11-20)27(12-5-13-27)29-26(32)33/h2-4,6-11,16,28-29,31H,5,12-15,17H2,1H3,(H,32,33).
What are the key properties of [1-[4-[2-(2-hydroxyethylamino)-4-methoxy-5-phenyl-7H-furo[2,3-c]pyridin-6-yl]phenyl]cyclobutyl]carbamic acid?
[1-[4-[2-(2-hydroxyethylamino)-4-methoxy-5-phenyl-7H-furo[2,3-c]pyridin-6-yl]phenyl]cyclobutyl]carbamic acid has a molecular weight of 475.55 g/mol, XLogP of 4.82, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[2-(2-hydroxyethylamino)-4-methoxy-5-phenyl-7H-furo[2,3-c]pyridin-6-yl]phenyl]cyclobutyl]carbamic acid is sourced from PubChem (CID 67207322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).