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

C26H27N3O4 — CID 67205181

IUPAC[1-[4-[4-methoxy-2-(methylamino)-5-phenyl-7H-furo[2,3-c]pyridin-6-yl]phenyl]cyclobutyl]carbamic acid
SMILESCNc1cc2c(o1)CN(c1ccc(C3(NC(=O)O)CCC3)cc1)C(c1ccccc1)=C2OC
InChIInChI=1S/C26H27N3O4/c1-27-22-15-20-21(33-22)16-29(23(24(20)32-2)17-7-4-3-5-8-17)19-11-9-18(10-12-19)26(13-6-14-26)28-25(30)31/h3-5,7-12,15,27-28H,6,13-14,16H2,1-2H3,(H,30,31)
InChIKeyVIDRPWATTHZJHM-UHFFFAOYSA-N
MW445.52 g/mol
LogP5.46
Rot. Bonds6

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

[1-[4-[4-methoxy-2-(methylamino)-5-phenyl-7H-furo[2,3-c]pyridin-6-yl]phenyl]cyclobutyl]carbamic acid (PubChem CID 67205181) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is [1-[4-[4-methoxy-2-(methylamino)-5-phenyl-7H-furo[2,3-c]pyridin-6-yl]phenyl]cyclobutyl]carbamic acid.

Molecular Properties

Compound Name[1-[4-[4-methoxy-2-(methylamino)-5-phenyl-7H-furo[2,3-c]pyridin-6-yl]phenyl]cyclobutyl]carbamic acid
PubChem CID67205181
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC Name[1-[4-[4-methoxy-2-(methylamino)-5-phenyl-7H-furo[2,3-c]pyridin-6-yl]phenyl]cyclobutyl]carbamic acid
SMILESCNc1cc2c(o1)CN(c1ccc(C3(NC(=O)O)CCC3)cc1)C(c1ccccc1)=C2OC
InChIInChI=1S/C26H27N3O4/c1-27-22-15-20-21(33-22)16-29(23(24(20)32-2)17-7-4-3-5-8-17)19-11-9-18(10-12-19)26(13-6-14-26)28-25(30)31/h3-5,7-12,15,27-28H,6,13-14,16H2,1-2H3,(H,30,31)
InChIKeyVIDRPWATTHZJHM-UHFFFAOYSA-N
XLogP5.46
TPSA86.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.52
LogP ≤ 55.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl (5E)-2-methyl-1-(4-methylphenyl)-4-oxo-5-[(5-{[(phenylcarbamoyl)formamido]methyl}furan-2-YL)methylidene]-4,5-dihydro-1H-pyrrole-3-carboxylate
CID 9550608
N-[[3-[3-fluoro-4-[4-[[(5-methylfuran-2-yl)methylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22274103
5-[[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 23403825
N-[[(5S)-3-[3-fluoro-4-[4-[[(5-methylfuran-2-yl)methylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 23403940
N-[[(5S)-3-[4-[4-[[(4,5-dimethylfuran-2-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 23404062
2-[[(E)-2-methyl-3-[2,3,5,6-tetrafluoro-4-[4-[(5-methylfuran-2-yl)methylamino]phenyl]phenyl]prop-2-enoyl]amino]propanoic acid
CID 59031642
methyl 5-[[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]methyl]-2-methylfuran-3-carboxylate
CID 60045909
methyl 5-[[[4-[4-[5-[(1S)-1-amino-2-oxopropyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]methyl]-2-methylfuran-3-carboxylate
CID 67016407
5-[[[4-[4-[5-[(1S)-1-amino-2-oxopropyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 69663921
2-[[2-Methyl-3-[2,3,5,6-tetrafluoro-4-[4-[(5-methylfuran-2-yl)methylamino]phenyl]phenyl]prop-2-enoyl]amino]propanoic acid
CID 72495053
[1-[4-[4-(2-fluoroethoxy)-2-(2-hydroxyethylamino)-5-phenyl-7H-furo[2,3-c]pyridin-6-yl]phenyl]cyclobutyl]carbamic acid
CID 87309621
[(2R)-1-acetamidobutan-2-yl] N-[3-fluoro-4-[4-[[(5-methylfuran-2-yl)methylamino]methyl]phenyl]phenyl]carbamate
CID 145082299

Frequently Asked Questions

What is the IUPAC name of [1-[4-[4-methoxy-2-(methylamino)-5-phenyl-7H-furo[2,3-c]pyridin-6-yl]phenyl]cyclobutyl]carbamic acid?
The IUPAC name of [1-[4-[4-methoxy-2-(methylamino)-5-phenyl-7H-furo[2,3-c]pyridin-6-yl]phenyl]cyclobutyl]carbamic acid (CID 67205181) is [1-[4-[4-methoxy-2-(methylamino)-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-(methylamino)-5-phenyl-7H-furo[2,3-c]pyridin-6-yl]phenyl]cyclobutyl]carbamic acid?
The canonical SMILES for [1-[4-[4-methoxy-2-(methylamino)-5-phenyl-7H-furo[2,3-c]pyridin-6-yl]phenyl]cyclobutyl]carbamic acid is CNc1cc2c(o1)CN(c1ccc(C3(NC(=O)O)CCC3)cc1)C(c1ccccc1)=C2OC.
What is the InChIKey of [1-[4-[4-methoxy-2-(methylamino)-5-phenyl-7H-furo[2,3-c]pyridin-6-yl]phenyl]cyclobutyl]carbamic acid?
The InChIKey is VIDRPWATTHZJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-27-22-15-20-21(33-22)16-29(23(24(20)32-2)17-7-4-3-5-8-17)19-11-9-18(10-12-19)26(13-6-14-26)28-25(30)31/h3-5,7-12,15,27-28H,6,13-14,16H2,1-2H3,(H,30,31).
What are the key properties of [1-[4-[4-methoxy-2-(methylamino)-5-phenyl-7H-furo[2,3-c]pyridin-6-yl]phenyl]cyclobutyl]carbamic acid?
[1-[4-[4-methoxy-2-(methylamino)-5-phenyl-7H-furo[2,3-c]pyridin-6-yl]phenyl]cyclobutyl]carbamic acid has a molecular weight of 445.52 g/mol, XLogP of 5.46, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[4-methoxy-2-(methylamino)-5-phenyl-7H-furo[2,3-c]pyridin-6-yl]phenyl]cyclobutyl]carbamic acid is sourced from PubChem (CID 67205181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).