(3aR,6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol;6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-pyrrolo[3,2-b]pyridin-2-ol;ethane

C25H31ClN2O5 — CID 145024032

IUPAC(3aR,6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol;6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-pyrrolo[3,2-b]pyridin-2-ol;ethane
SMILESCC.OCC1(c2ccc(-c3nc4cc(O)[nH]c4cc3Cl)cc2)CC1.O[C@@H]1CO[C@@H]2CCOC12
InChIInChI=1S/C17H15ClN2O2.C6H10O3.C2H6/c18-12-7-13-14(8-15(22)19-13)20-16(12)10-1-3-11(4-2-10)17(9-21)5-6-17;7-4-3-9-5-1-2-8-6(4)5;1-2/h1-4,7-8,19,21-22H,5-6,9H2;4-7H,1-3H2;1-2H3/t;4-,5-,6?;/m.1./s1
InChIKeyUMIMYIBPIJUDMP-DPMDSQGJSA-N
MW474.99 g/mol
LogP4.17
Rot. Bonds3

About (3aR,6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol;6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-pyrrolo[3,2-b]pyridin-2-ol;ethane

(3aR,6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol;6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-pyrrolo[3,2-b]pyridin-2-ol;ethane (PubChem CID 145024032) has the molecular formula C25H31ClN2O5 and a molecular weight of 474.99 g/mol. Its IUPAC name is (3aR,6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol;6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-pyrrolo[3,2-b]pyridin-2-ol;ethane.

Molecular Properties

Compound Name(3aR,6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol;6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-pyrrolo[3,2-b]pyridin-2-ol;ethane
PubChem CID145024032
Molecular FormulaC25H31ClN2O5
Molecular Weight474.99 g/mol
Exact Mass474.19
IUPAC Name(3aR,6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol;6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-pyrrolo[3,2-b]pyridin-2-ol;ethane
SMILESCC.OCC1(c2ccc(-c3nc4cc(O)[nH]c4cc3Cl)cc2)CC1.O[C@@H]1CO[C@@H]2CCOC12
InChIInChI=1S/C17H15ClN2O2.C6H10O3.C2H6/c18-12-7-13-14(8-15(22)19-13)20-16(12)10-1-3-11(4-2-10)17(9-21)5-6-17;7-4-3-9-5-1-2-8-6(4)5;1-2/h1-4,7-8,19,21-22H,5-6,9H2;4-7H,1-3H2;1-2H3/t;4-,5-,6?;/m.1./s1
InChIKeyUMIMYIBPIJUDMP-DPMDSQGJSA-N
XLogP4.17
TPSA107.83 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.99
LogP ≤ 54.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (3aR,6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol;6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-pyrrolo[3,2-b]pyridin-2-ol;ethane with MolForge

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Related Compounds

6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-pyrrolo[3,2-b]pyridin-2-ol;methanol;(2R)-2-methyloxane
CID 145024351
[(4S)-4-[[6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]oxy]oxolan-2-yl]methanol
CID 145357520
(3S,3aR,6R,6aR)-3-[[6-fluoro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 90435074
[(3R,3aR,6R,6aR)-3-[[6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2-methylpropanoate;(3R,3aR,6R,6aR)-6-[[6-chloro-5-[4-[4-(1-hydroxypropan-2-yloxy)phenyl]phenyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;[1-[4-[2-[[(3R,3aR,6R,6aR)-6-(2-methylpropanoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-chloro-1H-pyrrolo[3,2-b]pyridin-5-yl]phenyl]cyclopropyl]methyl 2-methylpropanoate;(2R,3S,5R)-5-[[6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]oxy]-2-(hydroxymethyl)oxan-3-ol;(2R,3R,4R)-4-[[6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]oxy]-2-(hydroxymethyl)oxolan-3-ol
CID 161045357
(3R,3aR,6R,6aR)-6-[[6-chloro-5-(4-hydroxyphenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 176679108
1-[4-[2-[[(3aR,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]cyclopropane-1-carbonitrile
CID 138508854
6-[[6-chloro-5-[4-[4-(1-hydroxypropan-2-yloxy)phenyl]phenyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 166813384
4-[4-[2-[[(3aR,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]oxane-4-carbonitrile
CID 138508821
(3aR,6aR)-6-[[5-chloro-6-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-2,3-dihydro-1H-benzimidazol-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 165117304
(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
6-[[6-chloro-5-[4-(4-methylsulfinylphenyl)phenyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 144700397
1-[4-[2-[[(3aR,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]-3-ethylurea
CID 138508961

Frequently Asked Questions

What is the IUPAC name of (3aR,6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol;6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-pyrrolo[3,2-b]pyridin-2-ol;ethane?
The IUPAC name of (3aR,6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol;6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-pyrrolo[3,2-b]pyridin-2-ol;ethane (CID 145024032) is (3aR,6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol;6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-pyrrolo[3,2-b]pyridin-2-ol;ethane.
What is the SMILES notation for (3aR,6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol;6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-pyrrolo[3,2-b]pyridin-2-ol;ethane?
The canonical SMILES for (3aR,6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol;6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-pyrrolo[3,2-b]pyridin-2-ol;ethane is CC.OCC1(c2ccc(-c3nc4cc(O)[nH]c4cc3Cl)cc2)CC1.O[C@@H]1CO[C@@H]2CCOC12.
What is the InChIKey of (3aR,6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol;6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-pyrrolo[3,2-b]pyridin-2-ol;ethane?
The InChIKey is UMIMYIBPIJUDMP-DPMDSQGJSA-N. The full InChI is InChI=1S/C17H15ClN2O2.C6H10O3.C2H6/c18-12-7-13-14(8-15(22)19-13)20-16(12)10-1-3-11(4-2-10)17(9-21)5-6-17;7-4-3-9-5-1-2-8-6(4)5;1-2/h1-4,7-8,19,21-22H,5-6,9H2;4-7H,1-3H2;1-2H3/t;4-,5-,6?;/m.1./s1.
What are the key properties of (3aR,6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol;6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-pyrrolo[3,2-b]pyridin-2-ol;ethane?
(3aR,6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol;6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-pyrrolo[3,2-b]pyridin-2-ol;ethane has a molecular weight of 474.99 g/mol, XLogP of 4.17, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol;6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-pyrrolo[3,2-b]pyridin-2-ol;ethane is sourced from PubChem (CID 145024032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).