(3R,6R,6aR)-6-[[6-chloro-5-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol

C21H20ClN3O5 — CID 144737407

IUPAC(3R,6R,6aR)-6-[[6-chloro-5-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
SMILESO[C@@H]1CO[C@H]2C1OC[C@H]2Oc1nc2nc(O[C@H]3CCc4ccccc43)c(Cl)cc2[nH]1
InChIInChI=1S/C21H20ClN3O5/c22-12-7-13-19(24-20(12)29-15-6-5-10-3-1-2-4-11(10)15)25-21(23-13)30-16-9-28-17-14(26)8-27-18(16)17/h1-4,7,14-18,26H,5-6,8-9H2,(H,23,24,25)/t14-,15+,16-,17?,18-/m1/s1
InChIKeyNSRMDHLKOQPBSG-YUGHNKOSSA-N
MW429.86 g/mol
LogP2.58
Rot. Bonds4

About (3R,6R,6aR)-6-[[6-chloro-5-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol

(3R,6R,6aR)-6-[[6-chloro-5-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol (PubChem CID 144737407) has the molecular formula C21H20ClN3O5 and a molecular weight of 429.86 g/mol. Its IUPAC name is (3R,6R,6aR)-6-[[6-chloro-5-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol.

Molecular Properties

Compound Name(3R,6R,6aR)-6-[[6-chloro-5-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
PubChem CID144737407
Molecular FormulaC21H20ClN3O5
Molecular Weight429.86 g/mol
Exact Mass429.11
IUPAC Name(3R,6R,6aR)-6-[[6-chloro-5-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
SMILESO[C@@H]1CO[C@H]2C1OC[C@H]2Oc1nc2nc(O[C@H]3CCc4ccccc43)c(Cl)cc2[nH]1
InChIInChI=1S/C21H20ClN3O5/c22-12-7-13-19(24-20(12)29-15-6-5-10-3-1-2-4-11(10)15)25-21(23-13)30-16-9-28-17-14(26)8-27-18(16)17/h1-4,7,14-18,26H,5-6,8-9H2,(H,23,24,25)/t14-,15+,16-,17?,18-/m1/s1
InChIKeyNSRMDHLKOQPBSG-YUGHNKOSSA-N
XLogP2.58
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.86
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3R,6R,6aR)-6-[[6-chloro-5-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol 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

(3R,3aR,6R,6aR)-6-[[6-chloro-5-(4-hydroxyphenoxy)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 144737409
(3R,6R,6aR)-6-[[6-chloro-5-[(2-fluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 144737641
(3R,6R)-6-[[6-chloro-5-[[7-fluoro-5-[(E)-3-methoxyprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]oxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 145390066
(3R,3aR,6R,6aR)-6-[[6-chloro-5-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylmethyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 161350454
(3R,3aR,6R,6aR)-6-[(5-benzyl-6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 159710766
(3R,3aR,6R,6aR)-6-[[6-chloro-5-(4-cyclopropylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 90067443
(3R,3aR,6R)-6-[[6-chloro-5-[3-(trifluoromethyl)phenoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 144737752
(3R,3aR,6R,6aR)-6-[[6-chloro-5-(4-cyclopropyloxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 118424719
(3R,3aR,6R,6aR)-6-[[6-chloro-5-[4-(4-chlorophenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 90067556
(3R,3aR,6R,6aR)-6-[[6-chloro-5-[(3,5-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 144737793
N-[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]benzamide
CID 130391381
(3R,3aR,6R,6aR)-6-[[6-chloro-5-(4-phenylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;acetylene;ethanol
CID 144579716

Frequently Asked Questions

What is the IUPAC name of (3R,6R,6aR)-6-[[6-chloro-5-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol?
The IUPAC name of (3R,6R,6aR)-6-[[6-chloro-5-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol (CID 144737407) is (3R,6R,6aR)-6-[[6-chloro-5-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol.
What is the SMILES notation for (3R,6R,6aR)-6-[[6-chloro-5-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol?
The canonical SMILES for (3R,6R,6aR)-6-[[6-chloro-5-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol is O[C@@H]1CO[C@H]2C1OC[C@H]2Oc1nc2nc(O[C@H]3CCc4ccccc43)c(Cl)cc2[nH]1.
What is the InChIKey of (3R,6R,6aR)-6-[[6-chloro-5-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol?
The InChIKey is NSRMDHLKOQPBSG-YUGHNKOSSA-N. The full InChI is InChI=1S/C21H20ClN3O5/c22-12-7-13-19(24-20(12)29-15-6-5-10-3-1-2-4-11(10)15)25-21(23-13)30-16-9-28-17-14(26)8-27-18(16)17/h1-4,7,14-18,26H,5-6,8-9H2,(H,23,24,25)/t14-,15+,16-,17?,18-/m1/s1.
What are the key properties of (3R,6R,6aR)-6-[[6-chloro-5-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol?
(3R,6R,6aR)-6-[[6-chloro-5-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol has a molecular weight of 429.86 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R,6aR)-6-[[6-chloro-5-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol is sourced from PubChem (CID 144737407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).