(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

C17H18ClN5O5 — CID 144737463

IUPAC(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
SMILESCn1cc(COc2nc3nc(O[C@@H]4CO[C@H]5C4OC[C@H]5O)[nH]c3cc2Cl)cn1
InChIInChI=1S/C17H18ClN5O5/c1-23-4-8(3-19-23)5-27-16-9(18)2-10-15(21-16)22-17(20-10)28-12-7-26-13-11(24)6-25-14(12)13/h2-4,11-14,24H,5-7H2,1H3,(H,20,21,22)/t11-,12-,13-,14?/m1/s1
InChIKeyCKSGJATWMUWHEJ-ZHZAVPAVSA-N
MW407.81 g/mol
LogP0.83
Rot. Bonds5

About (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

(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 (PubChem CID 144737463) has the molecular formula C17H18ClN5O5 and a molecular weight of 407.81 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID144737463
Molecular FormulaC17H18ClN5O5
Molecular Weight407.81 g/mol
Exact Mass407.10
IUPAC Name(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
SMILESCn1cc(COc2nc3nc(O[C@@H]4CO[C@H]5C4OC[C@H]5O)[nH]c3cc2Cl)cn1
InChIInChI=1S/C17H18ClN5O5/c1-23-4-8(3-19-23)5-27-16-9(18)2-10-15(21-16)22-17(20-10)28-12-7-26-13-11(24)6-25-14(12)13/h2-4,11-14,24H,5-7H2,1H3,(H,20,21,22)/t11-,12-,13-,14?/m1/s1
InChIKeyCKSGJATWMUWHEJ-ZHZAVPAVSA-N
XLogP0.83
TPSA116.54 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.81
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (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 with MolForge

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Launch Full Analysis

Related Compounds

(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
(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
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
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
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
(3R,6R)-6-[[6-chloro-5-[[2,6-difluoro-4-[(3-fluorooxetan-3-yl)methoxy]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 144737379
1-[4-[[2-[[(3R,3aR,6R)-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]piperidin-1-yl]-2-hydroxyethanone
CID 144737525
(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-(6-ethyl-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 118424697
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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cn1cc(COc2nc3nc(O[C@@H]4CO[C@H]5C4OC[C@H]5O)[nH]c3cc2Cl)cn1.
What is the InChIKey of (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?
The InChIKey is CKSGJATWMUWHEJ-ZHZAVPAVSA-N. The full InChI is InChI=1S/C17H18ClN5O5/c1-23-4-8(3-19-23)5-27-16-9(18)2-10-15(21-16)22-17(20-10)28-12-7-26-13-11(24)6-25-14(12)13/h2-4,11-14,24H,5-7H2,1H3,(H,20,21,22)/t11-,12-,13-,14?/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 407.81 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 144737463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).