(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-[(2S)-2-hydroxypropyl]spiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-1,5,7-trione

C25H25ClFN3O5 — CID 86577515

IUPAC(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-[(2S)-2-hydroxypropyl]spiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-1,5,7-trione
SMILESC[C@H](O)CN1C(=O)c2c3c(c(O)c(=O)n2[C@@]12CC[C@H]1C[C@H]12)C(=O)N(Cc1ccc(F)c(Cl)c1)CC3
InChIInChI=1S/C25H25ClFN3O5/c1-12(31)10-29-23(34)20-15-5-7-28(11-13-2-3-18(27)17(26)8-13)22(33)19(15)21(32)24(35)30(20)25(29)6-4-14-9-16(14)25/h2-3,8,12,14,16,31-32H,4-7,9-11H2,1H3/t12-,14-,16+,25+/m0/s1
InChIKeySUYSDXIXCVFTRC-UCVJIWRCSA-N
MW501.94 g/mol
LogP2.46
Rot. Bonds4

About (1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-[(2S)-2-hydroxypropyl]spiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-1,5,7-trione

(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-[(2S)-2-hydroxypropyl]spiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-1,5,7-trione (PubChem CID 86577515) has the molecular formula C25H25ClFN3O5 and a molecular weight of 501.94 g/mol. Its IUPAC name is (1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-[(2S)-2-hydroxypropyl]spiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-1,5,7-trione.

Molecular Properties

Compound Name(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-[(2S)-2-hydroxypropyl]spiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-1,5,7-trione
PubChem CID86577515
Molecular FormulaC25H25ClFN3O5
Molecular Weight501.94 g/mol
Exact Mass501.15
IUPAC Name(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-[(2S)-2-hydroxypropyl]spiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-1,5,7-trione
SMILESC[C@H](O)CN1C(=O)c2c3c(c(O)c(=O)n2[C@@]12CC[C@H]1C[C@H]12)C(=O)N(Cc1ccc(F)c(Cl)c1)CC3
InChIInChI=1S/C25H25ClFN3O5/c1-12(31)10-29-23(34)20-15-5-7-28(11-13-2-3-18(27)17(26)8-13)22(33)19(15)21(32)24(35)30(20)25(29)6-4-14-9-16(14)25/h2-3,8,12,14,16,31-32H,4-7,9-11H2,1H3/t12-,14-,16+,25+/m0/s1
InChIKeySUYSDXIXCVFTRC-UCVJIWRCSA-N
XLogP2.46
TPSA103.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.94
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-[(2S)-2-hydroxypropyl]spiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-1,5,7-trione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-[(2S)-2-hydroxypropyl]spiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-1,5,7-trione?
The IUPAC name of (1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-[(2S)-2-hydroxypropyl]spiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-1,5,7-trione (CID 86577515) is (1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-[(2S)-2-hydroxypropyl]spiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-1,5,7-trione.
What is the SMILES notation for (1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-[(2S)-2-hydroxypropyl]spiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-1,5,7-trione?
The canonical SMILES for (1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-[(2S)-2-hydroxypropyl]spiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-1,5,7-trione is C[C@H](O)CN1C(=O)c2c3c(c(O)c(=O)n2[C@@]12CC[C@H]1C[C@H]12)C(=O)N(Cc1ccc(F)c(Cl)c1)CC3.
What is the InChIKey of (1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-[(2S)-2-hydroxypropyl]spiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-1,5,7-trione?
The InChIKey is SUYSDXIXCVFTRC-UCVJIWRCSA-N. The full InChI is InChI=1S/C25H25ClFN3O5/c1-12(31)10-29-23(34)20-15-5-7-28(11-13-2-3-18(27)17(26)8-13)22(33)19(15)21(32)24(35)30(20)25(29)6-4-14-9-16(14)25/h2-3,8,12,14,16,31-32H,4-7,9-11H2,1H3/t12-,14-,16+,25+/m0/s1.
What are the key properties of (1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-[(2S)-2-hydroxypropyl]spiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-1,5,7-trione?
(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-[(2S)-2-hydroxypropyl]spiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-1,5,7-trione has a molecular weight of 501.94 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-[(2S)-2-hydroxypropyl]spiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-1,5,7-trione is sourced from PubChem (CID 86577515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).