[4-(2-carbamoyl-6-fluorophenyl)-5-chloro-2-phenyl-3H-furo[2,3-b]pyridin-2-yl]methyl N-tert-butylcarbamate

C26H25ClFN3O4 — CID 156855778

IUPAC[4-(2-carbamoyl-6-fluorophenyl)-5-chloro-2-phenyl-3H-furo[2,3-b]pyridin-2-yl]methyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCC1(c2ccccc2)Cc2c(ncc(Cl)c2-c2c(F)cccc2C(N)=O)O1
InChIInChI=1S/C26H25ClFN3O4/c1-25(2,3)31-24(33)34-14-26(15-8-5-4-6-9-15)12-17-20(18(27)13-30-23(17)35-26)21-16(22(29)32)10-7-11-19(21)28/h4-11,13H,12,14H2,1-3H3,(H2,29,32)(H,31,33)
InChIKeyDHZMJHVOKIRWRP-UHFFFAOYSA-N
MW497.95 g/mol
LogP5.00
Rot. Bonds5

About [4-(2-carbamoyl-6-fluorophenyl)-5-chloro-2-phenyl-3H-furo[2,3-b]pyridin-2-yl]methyl N-tert-butylcarbamate

[4-(2-carbamoyl-6-fluorophenyl)-5-chloro-2-phenyl-3H-furo[2,3-b]pyridin-2-yl]methyl N-tert-butylcarbamate (PubChem CID 156855778) has the molecular formula C26H25ClFN3O4 and a molecular weight of 497.95 g/mol. Its IUPAC name is [4-(2-carbamoyl-6-fluorophenyl)-5-chloro-2-phenyl-3H-furo[2,3-b]pyridin-2-yl]methyl N-tert-butylcarbamate.

Molecular Properties

Compound Name[4-(2-carbamoyl-6-fluorophenyl)-5-chloro-2-phenyl-3H-furo[2,3-b]pyridin-2-yl]methyl N-tert-butylcarbamate
PubChem CID156855778
Molecular FormulaC26H25ClFN3O4
Molecular Weight497.95 g/mol
Exact Mass497.15
IUPAC Name[4-(2-carbamoyl-6-fluorophenyl)-5-chloro-2-phenyl-3H-furo[2,3-b]pyridin-2-yl]methyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCC1(c2ccccc2)Cc2c(ncc(Cl)c2-c2c(F)cccc2C(N)=O)O1
InChIInChI=1S/C26H25ClFN3O4/c1-25(2,3)31-24(33)34-14-26(15-8-5-4-6-9-15)12-17-20(18(27)13-30-23(17)35-26)21-16(22(29)32)10-7-11-19(21)28/h4-11,13H,12,14H2,1-3H3,(H2,29,32)(H,31,33)
InChIKeyDHZMJHVOKIRWRP-UHFFFAOYSA-N
XLogP5.00
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.95
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-(2-carbamoyl-6-fluorophenyl)-5-chloro-2-phenyl-3H-furo[2,3-b]pyridin-2-yl]methyl N-tert-butylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2S)-2-(aminomethyl)-5-chloro-2-phenyl-3H-1-benzofuran-4-yl]-3-chlorobenzamide;2,2,2-trifluoroacetic acid
CID 166749007
tert-butyl N-[2-[2-[2-(aminomethyl)-5-chloro-2-phenyl-3H-1-benzofuran-4-yl]-3-fluorophenoxy]ethyl]carbamate
CID 166767851
4-[2-(aminomethyl)-5-chloro-2-phenyl-3H-1-benzofuran-4-yl]-5-fluoro-6-methoxypyridine-3-carboxamide
CID 156855687
2-[(2S)-2-(aminomethyl)-5-chloro-2-phenyl-3H-1-benzofuran-4-yl]-3-fluoro-4-(methylamino)benzamide
CID 156855666
4-[2-(aminomethyl)-5-chloro-6-fluoro-2-phenyl-3H-1-benzofuran-4-yl]-5-fluoro-6-methoxypyridine-3-carboxamide
CID 156855833
2-[3-[2-(aminomethyl)-5-chloro-2-phenyl-3H-1-benzofuran-4-yl]-4-carbamoyl-2-fluorophenoxy]acetic acid
CID 172635291
4-[(2S)-2-(aminomethyl)-5-chloro-6-fluoro-2-phenyl-3H-1-benzofuran-4-yl]-5-fluoro-6-(2-hydroxyethoxy)pyridine-3-carboxamide
CID 156856398
methyl 2-[5-chloro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-phenyl-3H-1-benzofuran-4-yl]-3,4-difluorobenzoate
CID 156855634
tert-butyl N-[[5-chloro-4-(2-cyano-6-fluorophenyl)-6-fluoro-2-phenyl-3H-1-benzofuran-2-yl]methyl]carbamate
CID 168860407
2-[(2R)-2-(aminomethyl)-5-chloro-2-(2,2-difluoro-1,3-benzodioxol-4-yl)-3H-1-benzofuran-4-yl]-3-fluorobenzamide
CID 166749211
2-[2-(aminomethyl)-5-chloro-6-fluoro-2-phenyl-1,3-dihydroindol-4-yl]-3-fluorobenzamide
CID 156855739
2-[5-chloro-2-[[(4-hydroxycyclohexyl)amino]methyl]-2-phenyl-3H-1-benzofuran-4-yl]-3-fluoro-4-methoxybenzamide
CID 156856079

Frequently Asked Questions

What is the IUPAC name of [4-(2-carbamoyl-6-fluorophenyl)-5-chloro-2-phenyl-3H-furo[2,3-b]pyridin-2-yl]methyl N-tert-butylcarbamate?
The IUPAC name of [4-(2-carbamoyl-6-fluorophenyl)-5-chloro-2-phenyl-3H-furo[2,3-b]pyridin-2-yl]methyl N-tert-butylcarbamate (CID 156855778) is [4-(2-carbamoyl-6-fluorophenyl)-5-chloro-2-phenyl-3H-furo[2,3-b]pyridin-2-yl]methyl N-tert-butylcarbamate.
What is the SMILES notation for [4-(2-carbamoyl-6-fluorophenyl)-5-chloro-2-phenyl-3H-furo[2,3-b]pyridin-2-yl]methyl N-tert-butylcarbamate?
The canonical SMILES for [4-(2-carbamoyl-6-fluorophenyl)-5-chloro-2-phenyl-3H-furo[2,3-b]pyridin-2-yl]methyl N-tert-butylcarbamate is CC(C)(C)NC(=O)OCC1(c2ccccc2)Cc2c(ncc(Cl)c2-c2c(F)cccc2C(N)=O)O1.
What is the InChIKey of [4-(2-carbamoyl-6-fluorophenyl)-5-chloro-2-phenyl-3H-furo[2,3-b]pyridin-2-yl]methyl N-tert-butylcarbamate?
The InChIKey is DHZMJHVOKIRWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClFN3O4/c1-25(2,3)31-24(33)34-14-26(15-8-5-4-6-9-15)12-17-20(18(27)13-30-23(17)35-26)21-16(22(29)32)10-7-11-19(21)28/h4-11,13H,12,14H2,1-3H3,(H2,29,32)(H,31,33).
What are the key properties of [4-(2-carbamoyl-6-fluorophenyl)-5-chloro-2-phenyl-3H-furo[2,3-b]pyridin-2-yl]methyl N-tert-butylcarbamate?
[4-(2-carbamoyl-6-fluorophenyl)-5-chloro-2-phenyl-3H-furo[2,3-b]pyridin-2-yl]methyl N-tert-butylcarbamate has a molecular weight of 497.95 g/mol, XLogP of 5.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-carbamoyl-6-fluorophenyl)-5-chloro-2-phenyl-3H-furo[2,3-b]pyridin-2-yl]methyl N-tert-butylcarbamate is sourced from PubChem (CID 156855778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).