6-[[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]oxymethyl]-1-methylpyridin-2-one

C19H19ClN4O6 — CID 144737485

IUPAC6-[[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]oxymethyl]-1-methylpyridin-2-one
SMILESCn1c(COc2nc3nc(O[C@@H]4CO[C@H]5[C@@H]4OC[C@H]5O)[nH]c3cc2Cl)cccc1=O
InChIInChI=1S/C19H19ClN4O6/c1-24-9(3-2-4-14(24)26)6-29-18-10(20)5-11-17(22-18)23-19(21-11)30-13-8-28-15-12(25)7-27-16(13)15/h2-5,12-13,15-16,25H,6-8H2,1H3,(H,21,22,23)/t12-,13-,15-,16-/m1/s1
InChIKeyGCKOWWLQGYRTMZ-RRCSTGOVSA-N
MW434.84 g/mol
LogP0.79
Rot. Bonds5

About 6-[[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]oxymethyl]-1-methylpyridin-2-one

6-[[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]oxymethyl]-1-methylpyridin-2-one (PubChem CID 144737485) has the molecular formula C19H19ClN4O6 and a molecular weight of 434.84 g/mol. Its IUPAC name is 6-[[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]oxymethyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name6-[[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]oxymethyl]-1-methylpyridin-2-one
PubChem CID144737485
Molecular FormulaC19H19ClN4O6
Molecular Weight434.84 g/mol
Exact Mass434.10
IUPAC Name6-[[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]oxymethyl]-1-methylpyridin-2-one
SMILESCn1c(COc2nc3nc(O[C@@H]4CO[C@H]5[C@@H]4OC[C@H]5O)[nH]c3cc2Cl)cccc1=O
InChIInChI=1S/C19H19ClN4O6/c1-24-9(3-2-4-14(24)26)6-29-18-10(20)5-11-17(22-18)23-19(21-11)30-13-8-28-15-12(25)7-27-16(13)15/h2-5,12-13,15-16,25H,6-8H2,1H3,(H,21,22,23)/t12-,13-,15-,16-/m1/s1
InChIKeyGCKOWWLQGYRTMZ-RRCSTGOVSA-N
XLogP0.79
TPSA120.72 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.84
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-[[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]oxymethyl]-1-methylpyridin-2-one with MolForge

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Related Compounds

(3R,3aR,6R)-6-[[6-chloro-5-[(1-methylpyrazol-4-yl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 144737463
(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,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
(3R,6R)-6-[[6-chloro-5-(1,3-thiazol-5-ylmethoxy)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 144737384
5-[[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]oxymethyl]thiophene-2-carbaldehyde;N-methylmethanamine
CID 144737566
(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
acetylene;(3R,6R)-6-[[6-chloro-5-[(4-chloro-2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;ethene
CID 144737669
(3R,6R)-6-[[6-chloro-5-[[2,6-difluoro-4-(trifluoromethyl)phenyl]methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 144737655
4-[[6-chloro-2-[[(3R,6R)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-1H-imidazo[4,5-b]pyridin-5-yl]oxymethyl]-N-ethyl-3,5-difluorobenzamide
CID 144737689
2-[4-[[2-[[(3R,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]oxymethyl]-3,5-difluorophenoxy]acetamide
CID 144737562
(3R,3aR,6R)-6-[[6-chloro-5-[(1-phenylpiperidin-4-yl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 144737380
3-[[2-[[(3R,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]oxy]-N,N-dimethylbenzamide
CID 144737665

Frequently Asked Questions

What is the IUPAC name of 6-[[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]oxymethyl]-1-methylpyridin-2-one?
The IUPAC name of 6-[[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]oxymethyl]-1-methylpyridin-2-one (CID 144737485) is 6-[[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]oxymethyl]-1-methylpyridin-2-one.
What is the SMILES notation for 6-[[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]oxymethyl]-1-methylpyridin-2-one?
The canonical SMILES for 6-[[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]oxymethyl]-1-methylpyridin-2-one is Cn1c(COc2nc3nc(O[C@@H]4CO[C@H]5[C@@H]4OC[C@H]5O)[nH]c3cc2Cl)cccc1=O.
What is the InChIKey of 6-[[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]oxymethyl]-1-methylpyridin-2-one?
The InChIKey is GCKOWWLQGYRTMZ-RRCSTGOVSA-N. The full InChI is InChI=1S/C19H19ClN4O6/c1-24-9(3-2-4-14(24)26)6-29-18-10(20)5-11-17(22-18)23-19(21-11)30-13-8-28-15-12(25)7-27-16(13)15/h2-5,12-13,15-16,25H,6-8H2,1H3,(H,21,22,23)/t12-,13-,15-,16-/m1/s1.
What are the key properties of 6-[[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]oxymethyl]-1-methylpyridin-2-one?
6-[[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]oxymethyl]-1-methylpyridin-2-one has a molecular weight of 434.84 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[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]oxymethyl]-1-methylpyridin-2-one is sourced from PubChem (CID 144737485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).