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]-3,5-difluoro-N-(2-methoxypropyl)benzamide

C24H25ClF2N4O7 — CID 144737486

IUPAC4-[[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]-3,5-difluoro-N-(2-methoxypropyl)benzamide
SMILESCOC(C)CNC(=O)c1cc(F)c(COc2nc3nc(O[C@@H]4COC5C4OC[C@H]5O)[nH]c3cc2Cl)c(F)c1
InChIInChI=1S/C24H25ClF2N4O7/c1-10(34-2)6-28-22(33)11-3-14(26)12(15(27)4-11)7-37-23-13(25)5-16-21(30-23)31-24(29-16)38-18-9-36-19-17(32)8-35-20(18)19/h3-5,10,17-20,32H,6-9H2,1-2H3,(H,28,33)(H,29,30,31)/t10?,17-,18-,19?,20?/m1/s1
InChIKeyJVWHHYLVRKCWHM-QYEKNXMISA-N
MW554.93 g/mol
LogP2.14
Rot. Bonds9

About 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]-3,5-difluoro-N-(2-methoxypropyl)benzamide

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]-3,5-difluoro-N-(2-methoxypropyl)benzamide (PubChem CID 144737486) has the molecular formula C24H25ClF2N4O7 and a molecular weight of 554.93 g/mol. Its IUPAC name is 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]-3,5-difluoro-N-(2-methoxypropyl)benzamide.

Molecular Properties

Compound Name4-[[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]-3,5-difluoro-N-(2-methoxypropyl)benzamide
PubChem CID144737486
Molecular FormulaC24H25ClF2N4O7
Molecular Weight554.93 g/mol
Exact Mass554.14
IUPAC Name4-[[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]-3,5-difluoro-N-(2-methoxypropyl)benzamide
SMILESCOC(C)CNC(=O)c1cc(F)c(COc2nc3nc(O[C@@H]4COC5C4OC[C@H]5O)[nH]c3cc2Cl)c(F)c1
InChIInChI=1S/C24H25ClF2N4O7/c1-10(34-2)6-28-22(33)11-3-14(26)12(15(27)4-11)7-37-23-13(25)5-16-21(30-23)31-24(29-16)38-18-9-36-19-17(32)8-35-20(18)19/h3-5,10,17-20,32H,6-9H2,1-2H3,(H,28,33)(H,29,30,31)/t10?,17-,18-,19?,20?/m1/s1
InChIKeyJVWHHYLVRKCWHM-QYEKNXMISA-N
XLogP2.14
TPSA137.05 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.93
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 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]-3,5-difluoro-N-(2-methoxypropyl)benzamide with MolForge

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Related Compounds

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
4-[[2-[[(3S,6R,6aS)-3-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]oxymethyl]-3,5-difluoro-N-(2-hydroxyethyl)benzamide
CID 144737386
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]-N-cyclopropyl-3,5-difluoro-N-methylbenzamide;ethane;propane
CID 144737666
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-imidazo[4,5-b]pyridin-5-yl]oxymethyl]-N-(cyclopentyl-methyl-oxo-λ6-sulfanylidene)-3,5-difluorobenzamide
CID 122420436
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
[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-difluorophenyl]-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 144737580
(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]-3,5-difluorophenyl]-(2-oxa-7-azaspiro[3.5]nonan-7-yl)methanone
CID 144737541
(3R,6R)-6-[[6-chloro-5-[[2,6-difluoro-4-(1,3-thiazol-2-yl)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 144737618
(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)-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,3aR,6R,6aR)-6-[[6-chloro-5-[2-[2,6-difluoro-4-(3-methoxypropoxy)phenyl]ethyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 160905673

Frequently Asked Questions

What is the IUPAC name of 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]-3,5-difluoro-N-(2-methoxypropyl)benzamide?
The IUPAC name of 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]-3,5-difluoro-N-(2-methoxypropyl)benzamide (CID 144737486) is 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]-3,5-difluoro-N-(2-methoxypropyl)benzamide.
What is the SMILES notation for 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]-3,5-difluoro-N-(2-methoxypropyl)benzamide?
The canonical SMILES for 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]-3,5-difluoro-N-(2-methoxypropyl)benzamide is COC(C)CNC(=O)c1cc(F)c(COc2nc3nc(O[C@@H]4COC5C4OC[C@H]5O)[nH]c3cc2Cl)c(F)c1.
What is the InChIKey of 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]-3,5-difluoro-N-(2-methoxypropyl)benzamide?
The InChIKey is JVWHHYLVRKCWHM-QYEKNXMISA-N. The full InChI is InChI=1S/C24H25ClF2N4O7/c1-10(34-2)6-28-22(33)11-3-14(26)12(15(27)4-11)7-37-23-13(25)5-16-21(30-23)31-24(29-16)38-18-9-36-19-17(32)8-35-20(18)19/h3-5,10,17-20,32H,6-9H2,1-2H3,(H,28,33)(H,29,30,31)/t10?,17-,18-,19?,20?/m1/s1.
What are the key properties of 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]-3,5-difluoro-N-(2-methoxypropyl)benzamide?
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]-3,5-difluoro-N-(2-methoxypropyl)benzamide has a molecular weight of 554.93 g/mol, XLogP of 2.14, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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]-3,5-difluoro-N-(2-methoxypropyl)benzamide is sourced from PubChem (CID 144737486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).