N-[2-[(1R,5S)-3-(3-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethyl]furo[2,3-c]pyridine-2-carboxamide

C21H20FN3O2 — CID 162502056

IUPACN-[2-[(1R,5S)-3-(3-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCCC1[C@H]2CN(c3cccc(F)c3)C[C@@H]12)c1cc2ccncc2o1
InChIInChI=1S/C21H20FN3O2/c22-14-2-1-3-15(9-14)25-11-17-16(18(17)12-25)5-7-24-21(26)19-8-13-4-6-23-10-20(13)27-19/h1-4,6,8-10,16-18H,5,7,11-12H2,(H,24,26)/t16?,17-,18+
InChIKeyQFSCHPQYFLXNOI-AYHJJNSGSA-N
MW365.41 g/mol
LogP3.47
Rot. Bonds5

About N-[2-[(1R,5S)-3-(3-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethyl]furo[2,3-c]pyridine-2-carboxamide

N-[2-[(1R,5S)-3-(3-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 162502056) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is N-[2-[(1R,5S)-3-(3-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(1R,5S)-3-(3-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID162502056
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC NameN-[2-[(1R,5S)-3-(3-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCCC1[C@H]2CN(c3cccc(F)c3)C[C@@H]12)c1cc2ccncc2o1
InChIInChI=1S/C21H20FN3O2/c22-14-2-1-3-15(9-14)25-11-17-16(18(17)12-25)5-7-24-21(26)19-8-13-4-6-23-10-20(13)27-19/h1-4,6,8-10,16-18H,5,7,11-12H2,(H,24,26)/t16?,17-,18+
InChIKeyQFSCHPQYFLXNOI-AYHJJNSGSA-N
XLogP3.47
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[(1R,5S)-3-(3-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethyl]furo[2,3-c]pyridine-2-carboxamide 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

Pha-543613
CID 9930121
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide
CID 10107234
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide
CID 10468418
Benzofuran-2-yl(4-fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)methanone
CID 42606572
Tert-butyl 1-([furo[2,3-c]pyridin-2-ylformamido]methyl)-6-azaspiro[2.5]octane-6-carboxylate
CID 71715185
N-[[5-(3,5-difluorophenyl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 71728054
Furo[2,3-c]pyridine-2-carboxylic acid 4-(piperidine-1-sulfonyl)-benzylamide
CID 71818155
N-[[5-(3,5-difluorophenyl)sulfinyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 89793496
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]furo[2,3-c]pyridine-2-carboxamide
CID 89795476
US10696692, Example 180
CID 89795553
US10696692, Example 357
CID 89795599
N-1-azabicyclo[2.2.2]oct-3-ylfuro[2,3-c]pyridine-5-carboxamide
CID 16725588

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1R,5S)-3-(3-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[2-[(1R,5S)-3-(3-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethyl]furo[2,3-c]pyridine-2-carboxamide (CID 162502056) is N-[2-[(1R,5S)-3-(3-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[(1R,5S)-3-(3-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[(1R,5S)-3-(3-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethyl]furo[2,3-c]pyridine-2-carboxamide is O=C(NCCC1[C@H]2CN(c3cccc(F)c3)C[C@@H]12)c1cc2ccncc2o1.
What is the InChIKey of N-[2-[(1R,5S)-3-(3-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is QFSCHPQYFLXNOI-AYHJJNSGSA-N. The full InChI is InChI=1S/C21H20FN3O2/c22-14-2-1-3-15(9-14)25-11-17-16(18(17)12-25)5-7-24-21(26)19-8-13-4-6-23-10-20(13)27-19/h1-4,6,8-10,16-18H,5,7,11-12H2,(H,24,26)/t16?,17-,18+.
What are the key properties of N-[2-[(1R,5S)-3-(3-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethyl]furo[2,3-c]pyridine-2-carboxamide?
N-[2-[(1R,5S)-3-(3-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1R,5S)-3-(3-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 162502056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).