6-chloro-1-[(2R)-1-hydroxybutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;bis(6-chloro-1-[(2R)-1-hydroxypropan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one);6-chloro-1-[(2R)-4-methyl-1-morpholin-4-ylpentan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-morpholin-4-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;methyl 4-[(2R)-2-(6-chloro-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)butyl]piperazine-1-carboxylate;sulfane

C74H100Cl6N22O13S2 — CID 158852679

IUPAC6-chloro-1-[(2R)-1-hydroxybutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;bis(6-chloro-1-[(2R)-1-hydroxypropan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one);6-chloro-1-[(2R)-4-methyl-1-morpholin-4-ylpentan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-morpholin-4-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;methyl 4-[(2R)-2-(6-chloro-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)butyl]piperazine-1-carboxylate;sulfane
SMILESCC(C)C[C@H](CN1CCOCC1)n1c(=O)[nH]c2ncc(Cl)cc21.CC[C@@H](CN1CCOCC1)n1c(=O)[nH]c2ncc(Cl)cc21.CC[C@H](CN1CCN(C(=O)OC)CC1)n1c(=O)[nH]c2ncc(Cl)cc21.CC[C@H](CO)n1c(=O)[nH]c2ncc(Cl)cc21.C[C@H](CO)n1c(=O)[nH]c2ncc(Cl)cc21.C[C@H](CO)n1c(=O)[nH]c2ncc(Cl)cc21.S.S
InChIInChI=1S/C16H22ClN5O3.C16H23ClN4O2.C14H19ClN4O2.C10H12ClN3O2.2C9H10ClN3O2.2H2S/c1-3-12(10-20-4-6-21(7-5-20)16(24)25-2)22-13-8-11(17)9-18-14(13)19-15(22)23;1-11(2)7-13(10-20-3-5-23-6-4-20)21-14-8-12(17)9-18-15(14)19-16(21)22;1-2-11(9-18-3-5-21-6-4-18)19-12-7-10(15)8-16-13(12)17-14(19)20;1-2-7(5-15)14-8-3-6(11)4-12-9(8)13-10(14)16;2*1-5(4-14)13-7-2-6(10)3-11-8(7)12-9(13)15;;/h8-9,12H,3-7,10H2,1-2H3,(H,18,19,23);8-9,11,13H,3-7,10H2,1-2H3,(H,18,19,22);7-8,11H,2-6,9H2,1H3,(H,16,17,20);3-4,7,15H,2,5H2,1H3,(H,12,13,16);2*2-3,5,14H,4H2,1H3,(H,11,12,15);2*1H2/t12-;13-;11-;7-;2*5-;;/m110111../s1
InChIKeyIZQVOENKZOBWCE-WKYLEMAFSA-N
MW1782.61 g/mol
LogP9.08
Rot. Bonds20

About 6-chloro-1-[(2R)-1-hydroxybutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;bis(6-chloro-1-[(2R)-1-hydroxypropan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one);6-chloro-1-[(2R)-4-methyl-1-morpholin-4-ylpentan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-morpholin-4-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;methyl 4-[(2R)-2-(6-chloro-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)butyl]piperazine-1-carboxylate;sulfane

6-chloro-1-[(2R)-1-hydroxybutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;bis(6-chloro-1-[(2R)-1-hydroxypropan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one);6-chloro-1-[(2R)-4-methyl-1-morpholin-4-ylpentan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-morpholin-4-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;methyl 4-[(2R)-2-(6-chloro-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)butyl]piperazine-1-carboxylate;sulfane (PubChem CID 158852679) has the molecular formula C74H100Cl6N22O13S2 and a molecular weight of 1782.61 g/mol. Its IUPAC name is 6-chloro-1-[(2R)-1-hydroxybutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;bis(6-chloro-1-[(2R)-1-hydroxypropan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one);6-chloro-1-[(2R)-4-methyl-1-morpholin-4-ylpentan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-morpholin-4-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;methyl 4-[(2R)-2-(6-chloro-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)butyl]piperazine-1-carboxylate;sulfane.

Molecular Properties

Compound Name6-chloro-1-[(2R)-1-hydroxybutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;bis(6-chloro-1-[(2R)-1-hydroxypropan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one);6-chloro-1-[(2R)-4-methyl-1-morpholin-4-ylpentan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-morpholin-4-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;methyl 4-[(2R)-2-(6-chloro-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)butyl]piperazine-1-carboxylate;sulfane
PubChem CID158852679
Molecular FormulaC74H100Cl6N22O13S2
Molecular Weight1782.61 g/mol
Exact Mass1778.54
IUPAC Name6-chloro-1-[(2R)-1-hydroxybutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;bis(6-chloro-1-[(2R)-1-hydroxypropan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one);6-chloro-1-[(2R)-4-methyl-1-morpholin-4-ylpentan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-morpholin-4-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;methyl 4-[(2R)-2-(6-chloro-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)butyl]piperazine-1-carboxylate;sulfane
SMILESCC(C)C[C@H](CN1CCOCC1)n1c(=O)[nH]c2ncc(Cl)cc21.CC[C@@H](CN1CCOCC1)n1c(=O)[nH]c2ncc(Cl)cc21.CC[C@H](CN1CCN(C(=O)OC)CC1)n1c(=O)[nH]c2ncc(Cl)cc21.CC[C@H](CO)n1c(=O)[nH]c2ncc(Cl)cc21.C[C@H](CO)n1c(=O)[nH]c2ncc(Cl)cc21.C[C@H](CO)n1c(=O)[nH]c2ncc(Cl)cc21.S.S
InChIInChI=1S/C16H22ClN5O3.C16H23ClN4O2.C14H19ClN4O2.C10H12ClN3O2.2C9H10ClN3O2.2H2S/c1-3-12(10-20-4-6-21(7-5-20)16(24)25-2)22-13-8-11(17)9-18-14(13)19-15(22)23;1-11(2)7-13(10-20-3-5-23-6-4-20)21-14-8-12(17)9-18-15(14)19-16(21)22;1-2-11(9-18-3-5-21-6-4-18)19-12-7-10(15)8-16-13(12)17-14(19)20;1-2-7(5-15)14-8-3-6(11)4-12-9(8)13-10(14)16;2*1-5(4-14)13-7-2-6(10)3-11-8(7)12-9(13)15;;/h8-9,12H,3-7,10H2,1-2H3,(H,18,19,23);8-9,11,13H,3-7,10H2,1-2H3,(H,18,19,22);7-8,11H,2-6,9H2,1H3,(H,16,17,20);3-4,7,15H,2,5H2,1H3,(H,12,13,16);2*2-3,5,14H,4H2,1H3,(H,11,12,15);2*1H2/t12-;13-;11-;7-;2*5-;;/m110111../s1
InChIKeyIZQVOENKZOBWCE-WKYLEMAFSA-N
XLogP9.08
TPSA422.49 Ų
H-Bond Donors9
H-Bond Acceptors28
Rotatable Bonds20
Heavy Atoms117
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001782.61
LogP ≤ 59.08
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1028

Analyze 6-chloro-1-[(2R)-1-hydroxybutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;bis(6-chloro-1-[(2R)-1-hydroxypropan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one);6-chloro-1-[(2R)-4-methyl-1-morpholin-4-ylpentan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-morpholin-4-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;methyl 4-[(2R)-2-(6-chloro-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)butyl]piperazine-1-carboxylate;sulfane with MolForge

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Related Compounds

6-chloro-1-[(2R)-1-morpholin-4-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one
CID 25093797
6-chloro-1-[(3R)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one
CID 25093871
5-bromo-3-(1-piperazin-1-ylbutan-2-yl)-1H-imidazo[4,5-b]pyrazin-2-one
CID 141200624
2,5-dichloro-N-(1-morpholin-4-ylpropan-2-yl)pyridine-4-carboxamide
CID 114917727
methyl morpholine-4-carboxylate
CID 12575354
6-bromo-7-methyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;N-[2-(6-chloro-7-cyano-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)ethyl]acetamide;6-chloro-1-[(2R)-1-morpholin-4-yl-3-pyridin-2-ylpropan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-7-carboxamide;6,7-diethynyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-ethynyl-7-methyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;5,6,7-trichloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one
CID 158552365
ethyl 4-(2-hydroxy-3-morpholin-4-ylpropyl)piperazine-1-carboxylate
CID 56827922
4-[(2R)-2-[5-(3-chloro-1H-indol-2-yl)imidazol-1-yl]butyl]morpholine
CID 92628524
tetramethyl 4,7-dioxa-1,10,13,16,21,24-hexazabicyclo[8.8.8]hexacosane-13,16,21,24-tetracarboxylate
CID 21316321
5-chloro-2-(diethylamino)-N-(4-methyl-2-morpholin-4-ylpentyl)pyrimidine-4-carboxamide
CID 48655928
ethyl 4-[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]piperazine-1-carboxylate
CID 8538802
2-(2,5-dichlorophenoxy)-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide
CID 24666851

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[(2R)-1-hydroxybutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;bis(6-chloro-1-[(2R)-1-hydroxypropan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one);6-chloro-1-[(2R)-4-methyl-1-morpholin-4-ylpentan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-morpholin-4-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;methyl 4-[(2R)-2-(6-chloro-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)butyl]piperazine-1-carboxylate;sulfane?
The IUPAC name of 6-chloro-1-[(2R)-1-hydroxybutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;bis(6-chloro-1-[(2R)-1-hydroxypropan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one);6-chloro-1-[(2R)-4-methyl-1-morpholin-4-ylpentan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-morpholin-4-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;methyl 4-[(2R)-2-(6-chloro-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)butyl]piperazine-1-carboxylate;sulfane (CID 158852679) is 6-chloro-1-[(2R)-1-hydroxybutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;bis(6-chloro-1-[(2R)-1-hydroxypropan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one);6-chloro-1-[(2R)-4-methyl-1-morpholin-4-ylpentan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-morpholin-4-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;methyl 4-[(2R)-2-(6-chloro-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)butyl]piperazine-1-carboxylate;sulfane.
What is the SMILES notation for 6-chloro-1-[(2R)-1-hydroxybutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;bis(6-chloro-1-[(2R)-1-hydroxypropan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one);6-chloro-1-[(2R)-4-methyl-1-morpholin-4-ylpentan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-morpholin-4-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;methyl 4-[(2R)-2-(6-chloro-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)butyl]piperazine-1-carboxylate;sulfane?
The canonical SMILES for 6-chloro-1-[(2R)-1-hydroxybutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;bis(6-chloro-1-[(2R)-1-hydroxypropan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one);6-chloro-1-[(2R)-4-methyl-1-morpholin-4-ylpentan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-morpholin-4-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;methyl 4-[(2R)-2-(6-chloro-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)butyl]piperazine-1-carboxylate;sulfane is CC(C)C[C@H](CN1CCOCC1)n1c(=O)[nH]c2ncc(Cl)cc21.CC[C@@H](CN1CCOCC1)n1c(=O)[nH]c2ncc(Cl)cc21.CC[C@H](CN1CCN(C(=O)OC)CC1)n1c(=O)[nH]c2ncc(Cl)cc21.CC[C@H](CO)n1c(=O)[nH]c2ncc(Cl)cc21.C[C@H](CO)n1c(=O)[nH]c2ncc(Cl)cc21.C[C@H](CO)n1c(=O)[nH]c2ncc(Cl)cc21.S.S.
What is the InChIKey of 6-chloro-1-[(2R)-1-hydroxybutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;bis(6-chloro-1-[(2R)-1-hydroxypropan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one);6-chloro-1-[(2R)-4-methyl-1-morpholin-4-ylpentan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-morpholin-4-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;methyl 4-[(2R)-2-(6-chloro-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)butyl]piperazine-1-carboxylate;sulfane?
The InChIKey is IZQVOENKZOBWCE-WKYLEMAFSA-N. The full InChI is InChI=1S/C16H22ClN5O3.C16H23ClN4O2.C14H19ClN4O2.C10H12ClN3O2.2C9H10ClN3O2.2H2S/c1-3-12(10-20-4-6-21(7-5-20)16(24)25-2)22-13-8-11(17)9-18-14(13)19-15(22)23;1-11(2)7-13(10-20-3-5-23-6-4-20)21-14-8-12(17)9-18-15(14)19-16(21)22;1-2-11(9-18-3-5-21-6-4-18)19-12-7-10(15)8-16-13(12)17-14(19)20;1-2-7(5-15)14-8-3-6(11)4-12-9(8)13-10(14)16;2*1-5(4-14)13-7-2-6(10)3-11-8(7)12-9(13)15;;/h8-9,12H,3-7,10H2,1-2H3,(H,18,19,23);8-9,11,13H,3-7,10H2,1-2H3,(H,18,19,22);7-8,11H,2-6,9H2,1H3,(H,16,17,20);3-4,7,15H,2,5H2,1H3,(H,12,13,16);2*2-3,5,14H,4H2,1H3,(H,11,12,15);2*1H2/t12-;13-;11-;7-;2*5-;;/m110111../s1.
What are the key properties of 6-chloro-1-[(2R)-1-hydroxybutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;bis(6-chloro-1-[(2R)-1-hydroxypropan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one);6-chloro-1-[(2R)-4-methyl-1-morpholin-4-ylpentan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-morpholin-4-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;methyl 4-[(2R)-2-(6-chloro-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)butyl]piperazine-1-carboxylate;sulfane?
6-chloro-1-[(2R)-1-hydroxybutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;bis(6-chloro-1-[(2R)-1-hydroxypropan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one);6-chloro-1-[(2R)-4-methyl-1-morpholin-4-ylpentan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-morpholin-4-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;methyl 4-[(2R)-2-(6-chloro-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)butyl]piperazine-1-carboxylate;sulfane has a molecular weight of 1782.61 g/mol, XLogP of 9.08, 20 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[(2R)-1-hydroxybutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;bis(6-chloro-1-[(2R)-1-hydroxypropan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one);6-chloro-1-[(2R)-4-methyl-1-morpholin-4-ylpentan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-morpholin-4-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;methyl 4-[(2R)-2-(6-chloro-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)butyl]piperazine-1-carboxylate;sulfane is sourced from PubChem (CID 158852679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).