[(2R,4R)-4-[[5-[4-(5-amino-2-pyridinyl)phenyl]-6-chloro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3,3-difluorooxolan-2-yl]methanol

C22H18ClF2N5O3 — CID 145403854

IUPAC[(2R,4R)-4-[[5-[4-(5-amino-2-pyridinyl)phenyl]-6-chloro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3,3-difluorooxolan-2-yl]methanol
SMILESNc1ccc(-c2ccc(-c3nc4nc(O[C@@H]5CO[C@H](CO)C5(F)F)[nH]c4cc3Cl)cc2)nc1
InChIInChI=1S/C22H18ClF2N5O3/c23-14-7-16-20(30-21(28-16)33-18-10-32-17(9-31)22(18,24)25)29-19(14)12-3-1-11(2-4-12)15-6-5-13(26)8-27-15/h1-8,17-18,31H,9-10,26H2,(H,28,29,30)/t17-,18-/m1/s1
InChIKeyKVVOWNFNBGPBHU-QZTJIDSGSA-N
MW473.87 g/mol
LogP3.70
Rot. Bonds5

About [(2R,4R)-4-[[5-[4-(5-amino-2-pyridinyl)phenyl]-6-chloro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3,3-difluorooxolan-2-yl]methanol

[(2R,4R)-4-[[5-[4-(5-amino-2-pyridinyl)phenyl]-6-chloro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3,3-difluorooxolan-2-yl]methanol (PubChem CID 145403854) has the molecular formula C22H18ClF2N5O3 and a molecular weight of 473.87 g/mol. Its IUPAC name is [(2R,4R)-4-[[5-[4-(5-amino-2-pyridinyl)phenyl]-6-chloro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3,3-difluorooxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,4R)-4-[[5-[4-(5-amino-2-pyridinyl)phenyl]-6-chloro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3,3-difluorooxolan-2-yl]methanol
PubChem CID145403854
Molecular FormulaC22H18ClF2N5O3
Molecular Weight473.87 g/mol
Exact Mass473.11
IUPAC Name[(2R,4R)-4-[[5-[4-(5-amino-2-pyridinyl)phenyl]-6-chloro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3,3-difluorooxolan-2-yl]methanol
SMILESNc1ccc(-c2ccc(-c3nc4nc(O[C@@H]5CO[C@H](CO)C5(F)F)[nH]c4cc3Cl)cc2)nc1
InChIInChI=1S/C22H18ClF2N5O3/c23-14-7-16-20(30-21(28-16)33-18-10-32-17(9-31)22(18,24)25)29-19(14)12-3-1-11(2-4-12)15-6-5-13(26)8-27-15/h1-8,17-18,31H,9-10,26H2,(H,28,29,30)/t17-,18-/m1/s1
InChIKeyKVVOWNFNBGPBHU-QZTJIDSGSA-N
XLogP3.70
TPSA119.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.87
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [(2R,4R)-4-[[5-[4-(5-amino-2-pyridinyl)phenyl]-6-chloro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3,3-difluorooxolan-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R,4R)-4-[[5-[4-(5-amino-2-pyridinyl)phenyl]-6-chloro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3,3-difluorooxolan-2-yl]methanol;ethane;methylsulfanylmethane
CID 145403853
[(2R,4R)-4-[[5-[4-(4-ethenylphenyl)phenyl]-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3,3-difluorooxolan-2-yl]methanol
CID 157094450
[(2R,4R)-4-[[5-[4-[4-[[diethyl(oxo)-λ6-sulfanylidene]amino]phenyl]phenyl]-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3,3-difluorooxolan-2-yl]methanol
CID 139468439
[4-[[5-(4-bromophenyl)-6-chloro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]oxolan-2-yl]methanol
CID 123567423
1-[4-[6-chloro-2-[5-(hydroxymethyl)oxolan-3-yl]oxy-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]cyclobutan-1-ol
CID 144579804
[(2R,4R)-4-[[5-[4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]cyclohexen-1-yl]phenyl]-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3,3-difluorooxolan-2-yl]methanol
CID 138494010
2-[[(3aR,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-5-[6-(4-fluorophenyl)-3-pyridinyl]-1H-imidazo[4,5-b]pyridine
CID 138508876
(3R,3aR,6R,6aR)-6-[[6-chloro-5-(4-pyrazin-2-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 176679112
(3aR,6R,6aR)-6-[[6-chloro-5-[4-[4-(3,3-difluorocyclobutyl)phenyl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 171924335
(3R,3aR,6R,6aR)-6-[[6-chloro-5-(4-cyclopropyloxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 118424719
(3R,6R,6aR)-6-[[5-[4-[4-(aminomethyl)phenyl]phenyl]-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 145017322
(2R,3S,5R)-5-[[6-chloro-5-[4-[4-(1,3-oxazol-2-yl)phenyl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-(hydroxymethyl)oxan-3-ol
CID 90077343

Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-4-[[5-[4-(5-amino-2-pyridinyl)phenyl]-6-chloro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3,3-difluorooxolan-2-yl]methanol?
The IUPAC name of [(2R,4R)-4-[[5-[4-(5-amino-2-pyridinyl)phenyl]-6-chloro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3,3-difluorooxolan-2-yl]methanol (CID 145403854) is [(2R,4R)-4-[[5-[4-(5-amino-2-pyridinyl)phenyl]-6-chloro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3,3-difluorooxolan-2-yl]methanol.
What is the SMILES notation for [(2R,4R)-4-[[5-[4-(5-amino-2-pyridinyl)phenyl]-6-chloro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3,3-difluorooxolan-2-yl]methanol?
The canonical SMILES for [(2R,4R)-4-[[5-[4-(5-amino-2-pyridinyl)phenyl]-6-chloro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3,3-difluorooxolan-2-yl]methanol is Nc1ccc(-c2ccc(-c3nc4nc(O[C@@H]5CO[C@H](CO)C5(F)F)[nH]c4cc3Cl)cc2)nc1.
What is the InChIKey of [(2R,4R)-4-[[5-[4-(5-amino-2-pyridinyl)phenyl]-6-chloro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3,3-difluorooxolan-2-yl]methanol?
The InChIKey is KVVOWNFNBGPBHU-QZTJIDSGSA-N. The full InChI is InChI=1S/C22H18ClF2N5O3/c23-14-7-16-20(30-21(28-16)33-18-10-32-17(9-31)22(18,24)25)29-19(14)12-3-1-11(2-4-12)15-6-5-13(26)8-27-15/h1-8,17-18,31H,9-10,26H2,(H,28,29,30)/t17-,18-/m1/s1.
What are the key properties of [(2R,4R)-4-[[5-[4-(5-amino-2-pyridinyl)phenyl]-6-chloro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3,3-difluorooxolan-2-yl]methanol?
[(2R,4R)-4-[[5-[4-(5-amino-2-pyridinyl)phenyl]-6-chloro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3,3-difluorooxolan-2-yl]methanol has a molecular weight of 473.87 g/mol, XLogP of 3.70, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-4-[[5-[4-(5-amino-2-pyridinyl)phenyl]-6-chloro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3,3-difluorooxolan-2-yl]methanol is sourced from PubChem (CID 145403854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).