6-chloro-2-[[(3R,6R)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carbaldehyde

C25H24ClNO6 — CID 144700427

IUPAC6-chloro-2-[[(3R,6R)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carbaldehyde
SMILESO=Cc1c(O[C@@H]2COC3C2OC[C@H]3O)[nH]c2cc(Cl)c(-c3ccc(C4(CO)CC4)cc3)cc12
InChIInChI=1S/C25H24ClNO6/c26-18-8-19-16(7-15(18)13-1-3-14(4-2-13)25(12-29)5-6-25)17(9-28)24(27-19)33-21-11-32-22-20(30)10-31-23(21)22/h1-4,7-9,20-23,27,29-30H,5-6,10-12H2/t20-,21-,22?,23?/m1/s1
InChIKeyGUUDBAPTLLJTLD-KBFCKHRLSA-N
MW469.92 g/mol
LogP3.23
Rot. Bonds6

About 6-chloro-2-[[(3R,6R)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carbaldehyde

6-chloro-2-[[(3R,6R)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carbaldehyde (PubChem CID 144700427) has the molecular formula C25H24ClNO6 and a molecular weight of 469.92 g/mol. Its IUPAC name is 6-chloro-2-[[(3R,6R)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name6-chloro-2-[[(3R,6R)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carbaldehyde
PubChem CID144700427
Molecular FormulaC25H24ClNO6
Molecular Weight469.92 g/mol
Exact Mass469.13
IUPAC Name6-chloro-2-[[(3R,6R)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carbaldehyde
SMILESO=Cc1c(O[C@@H]2COC3C2OC[C@H]3O)[nH]c2cc(Cl)c(-c3ccc(C4(CO)CC4)cc3)cc12
InChIInChI=1S/C25H24ClNO6/c26-18-8-19-16(7-15(18)13-1-3-14(4-2-13)25(12-29)5-6-25)17(9-28)24(27-19)33-21-11-32-22-20(30)10-31-23(21)22/h1-4,7-9,20-23,27,29-30H,5-6,10-12H2/t20-,21-,22?,23?/m1/s1
InChIKeyGUUDBAPTLLJTLD-KBFCKHRLSA-N
XLogP3.23
TPSA101.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.92
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 6-chloro-2-[[(3R,6R)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carbaldehyde with MolForge

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Related Compounds

(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
4-[4-[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-benzimidazol-5-yl]phenyl]benzaldehyde
CID 162426206
4-[4-[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-3-cyano-1H-indol-5-yl]phenyl]cyclohex-3-ene-1-carboxylic acid
CID 118243506
(3R,3aR,6R,6aR)-6-[[6-chloro-5-[4-(3-hydroxypropyl)phenyl]-1H-benzimidazol-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 118640080
6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carboxylic acid
CID 71767830
(3R,3aR,6R,6aR)-6-[[6-chloro-5-[4-[4-[[3-(hydroxymethyl)azetidin-1-yl]methyl]phenyl]phenyl]-1H-benzimidazol-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;4-[4-[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-benzimidazol-5-yl]phenyl]benzaldehyde;azetidin-3-ylmethanol
CID 163988794
(3aR,6aR)-6-[[6-chloro-3-methyl-5-(4-phenylphenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 166813350
(2R,3R,4R,5S)-6-[[4-[4-[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-benzimidazol-5-yl]phenyl]phenyl]methylamino]hexane-1,2,3,4,5-pentol
CID 162426192
(3R,3aR,6R,6aR)-6-[[6-chloro-3-fluoro-5-(4-phenylphenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;(3R,3aR,6R,6aR)-6-[[6-fluoro-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-3-ol;(3R,3aR,6R,6aR)-6-[[6-fluoro-5-(4-phenylphenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;5-[[6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]oxy]-2-methylbenzoic acid;5-[[6-chloro-5-(4-phenylphenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]oxy]-2-methylbenzoic acid;3-[[6-fluoro-5-[4-(4-methylsulfonylphenyl)phenyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]oxy]propan-1-ol;5-[[6-fluoro-5-(4-phenylphenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]oxy]-2-methylbenzoic acid
CID 158160571
(3R,6R,6aR)-6-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-benzimidazol-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 144618756
(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-(3-fluoro-4-phenylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 123710273

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[[(3R,6R)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carbaldehyde?
The IUPAC name of 6-chloro-2-[[(3R,6R)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carbaldehyde (CID 144700427) is 6-chloro-2-[[(3R,6R)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carbaldehyde.
What is the SMILES notation for 6-chloro-2-[[(3R,6R)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carbaldehyde?
The canonical SMILES for 6-chloro-2-[[(3R,6R)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carbaldehyde is O=Cc1c(O[C@@H]2COC3C2OC[C@H]3O)[nH]c2cc(Cl)c(-c3ccc(C4(CO)CC4)cc3)cc12.
What is the InChIKey of 6-chloro-2-[[(3R,6R)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carbaldehyde?
The InChIKey is GUUDBAPTLLJTLD-KBFCKHRLSA-N. The full InChI is InChI=1S/C25H24ClNO6/c26-18-8-19-16(7-15(18)13-1-3-14(4-2-13)25(12-29)5-6-25)17(9-28)24(27-19)33-21-11-32-22-20(30)10-31-23(21)22/h1-4,7-9,20-23,27,29-30H,5-6,10-12H2/t20-,21-,22?,23?/m1/s1.
What are the key properties of 6-chloro-2-[[(3R,6R)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carbaldehyde?
6-chloro-2-[[(3R,6R)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carbaldehyde has a molecular weight of 469.92 g/mol, XLogP of 3.23, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[[(3R,6R)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carbaldehyde is sourced from PubChem (CID 144700427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).