tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(oxan-4-ylcarbamoylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate;1-[6-[3-(2-hydroxypentoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-3-(oxan-4-yl)urea;oxan-4-ylurea

C98H148ClN17O16Si2 — CID 157246410

IUPACtert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(oxan-4-ylcarbamoylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate;1-[6-[3-(2-hydroxypentoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-3-(oxan-4-yl)urea;oxan-4-ylurea
SMILESCC(C)n1ncc2c(Cl)cc(-c3cccc(OCC(CN(C)C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)c3)nc21.CC(C)n1ncc2c(NC(=O)NC3CCOCC3)cc(-c3cccc(OCC(CN(C)C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)c3)nc21.CCCC(O)COc1cccc(-c2cc(NC(=O)NC3CCOCC3)c3cnn(C(C)C)c3n2)c1.NC(=O)NC1CCOCC1
InChIInChI=1S/C36H56N6O6Si.C30H45ClN4O4Si.C26H35N5O4.C6H12N2O2/c1-24(2)42-32-29(21-37-42)31(40-33(43)38-26-15-17-45-18-16-26)20-30(39-32)25-13-12-14-27(19-25)46-23-28(48-49(10,11)36(6,7)8)22-41(9)34(44)47-35(3,4)5;1-20(2)35-27-24(17-32-35)25(31)16-26(33-27)21-13-12-14-22(15-21)37-19-23(39-40(10,11)30(6,7)8)18-34(9)28(36)38-29(3,4)5;1-4-6-20(32)16-35-21-8-5-7-18(13-21)23-14-24(22-15-27-31(17(2)3)25(22)29-23)30-26(33)28-19-9-11-34-12-10-19;7-6(9)8-5-1-3-10-4-2-5/h12-14,19-21,24,26,28H,15-18,22-23H2,1-11H3,(H2,38,39,40,43);12-17,20,23H,18-19H2,1-11H3;5,7-8,13-15,17,19-20,32H,4,6,9-12,16H2,1-3H3,(H2,28,29,30,33);5H,1-4H2,(H3,7,8,9)
InChIKeyAVVACAZALYRNTF-UHFFFAOYSA-N
MW1911.99 g/mol
LogP19.94
Rot. Bonds30

About tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(oxan-4-ylcarbamoylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate;1-[6-[3-(2-hydroxypentoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-3-(oxan-4-yl)urea;oxan-4-ylurea

tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(oxan-4-ylcarbamoylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate;1-[6-[3-(2-hydroxypentoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-3-(oxan-4-yl)urea;oxan-4-ylurea (PubChem CID 157246410) has the molecular formula C98H148ClN17O16Si2 and a molecular weight of 1911.99 g/mol. Its IUPAC name is tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(oxan-4-ylcarbamoylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate;1-[6-[3-(2-hydroxypentoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-3-(oxan-4-yl)urea;oxan-4-ylurea.

Molecular Properties

Compound Nametert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(oxan-4-ylcarbamoylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate;1-[6-[3-(2-hydroxypentoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-3-(oxan-4-yl)urea;oxan-4-ylurea
PubChem CID157246410
Molecular FormulaC98H148ClN17O16Si2
Molecular Weight1911.99 g/mol
Exact Mass1910.05
IUPAC Nametert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(oxan-4-ylcarbamoylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate;1-[6-[3-(2-hydroxypentoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-3-(oxan-4-yl)urea;oxan-4-ylurea
SMILESCC(C)n1ncc2c(Cl)cc(-c3cccc(OCC(CN(C)C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)c3)nc21.CC(C)n1ncc2c(NC(=O)NC3CCOCC3)cc(-c3cccc(OCC(CN(C)C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)c3)nc21.CCCC(O)COc1cccc(-c2cc(NC(=O)NC3CCOCC3)c3cnn(C(C)C)c3n2)c1.NC(=O)NC1CCOCC1
InChIInChI=1S/C36H56N6O6Si.C30H45ClN4O4Si.C26H35N5O4.C6H12N2O2/c1-24(2)42-32-29(21-37-42)31(40-33(43)38-26-15-17-45-18-16-26)20-30(39-32)25-13-12-14-27(19-25)46-23-28(48-49(10,11)36(6,7)8)22-41(9)34(44)47-35(3,4)5;1-20(2)35-27-24(17-32-35)25(31)16-26(33-27)21-13-12-14-22(15-21)37-19-23(39-40(10,11)30(6,7)8)18-34(9)28(36)38-29(3,4)5;1-4-6-20(32)16-35-21-8-5-7-18(13-21)23-14-24(22-15-27-31(17(2)3)25(22)29-23)30-26(33)28-19-9-11-34-12-10-19;7-6(9)8-5-1-3-10-4-2-5/h12-14,19-21,24,26,28H,15-18,22-23H2,1-11H3,(H2,38,39,40,43);12-17,20,23H,18-19H2,1-11H3;5,7-8,13-15,17,19-20,32H,4,6,9-12,16H2,1-3H3,(H2,28,29,30,33);5H,1-4H2,(H3,7,8,9)
InChIKeyAVVACAZALYRNTF-UHFFFAOYSA-N
XLogP19.94
TPSA382.66 Ų
H-Bond Donors7
H-Bond Acceptors25
Rotatable Bonds30
Heavy Atoms134
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001911.99
LogP ≤ 519.94
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(oxan-4-ylcarbamoylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate;1-[6-[3-(2-hydroxypentoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-3-(oxan-4-yl)urea;oxan-4-ylurea with MolForge

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Related Compounds

tert-butyl 2-(tert-butyldimethylsilyloxy)-3-(3-(4-chloro-1-isopropyl-1H-pyrazolo[3,4-b]pyridin-6-yl)phenoxy)propyl(methyl)carbamate
CID 90425016
(6-{3-[3-(tert-butoxy carbonyl-methyl-amino)-2-(tert-butyl-dimethyl-silanyloxy)-propoxyl]-phenyl}-1-isopropyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-carbamic acid ethyl ester
CID 90425232
tert-butyl 2-(tert-butyldimethylsilyloxy)-3-(3-chloro-5-(1-isopropyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-6-yl)phenoxy)propyl(methyl)carbamate
CID 90425441
tert-butyl 3-(3-(4-chloro-1-isopropyl-1H-pyrazolo[3,4-b]pyridin-6-yl)phenoxy)-2-hydroxypropyl(methyl)carbamate
CID 90425483
tert-butyl 2-(tert-butyldimethyl silyloxy)-3-(3-(1-isopropyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridine-6-yl)phenoxy)propyl(methyl)carbamate
CID 90425991
tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-chloro-5-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propyl]-N-methylcarbamate
CID 90426084
tert-butyl 2-(tert-butyldimethylsilyloxy)-3-(3-(1-isopropyl-4-(3-(tetrahydro-2H-pyran-4-yl)ureido)-1H-pyrazolo[3,4-b]pyridin-6-yl)phenoxy)propyl(methyl)carbamate
CID 90426483
6-[3-(3-Amino-2-hydroxypropoxy)phenyl]-4-[[3-[1-[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-4-(dimethylsulfamoylamino)pyrazolo[5,4-b]pyridin-1-yl]ethoxy]phenyl]methylamino]-1-propan-2-ylpyrazolo[5,4-b]pyridine
CID 123269872
1-[6-[3-(3-Amino-2-hydroxypropoxy)phenyl]-1-[1-[2-[[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]amino]cyclopropyl]ethyl]pyrazolo[5,4-b]pyridin-4-yl]-3-methylurea
CID 123297394
[4-[2-[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-4-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylamino]pyrazolo[5,4-b]pyridin-1-yl]propyl]phenyl]methyl N-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamate
CID 123307242
1-amino-3-[3-[4-[[1-[1-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-4-(2H-tetrazol-5-ylmethylamino)pyrazolo[5,4-b]pyridin-1-yl]ethyl]pyridin-1-ium-4-yl]methylamino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol
CID 123396420
1-[[2-[4-(4-Aminobutylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]-4-[2-hydroxy-3-(methylamino)propoxy]phenyl]methyl]-3-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-1-methylurea
CID 123432431

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(oxan-4-ylcarbamoylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate;1-[6-[3-(2-hydroxypentoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-3-(oxan-4-yl)urea;oxan-4-ylurea?
The IUPAC name of tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(oxan-4-ylcarbamoylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate;1-[6-[3-(2-hydroxypentoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-3-(oxan-4-yl)urea;oxan-4-ylurea (CID 157246410) is tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(oxan-4-ylcarbamoylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate;1-[6-[3-(2-hydroxypentoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-3-(oxan-4-yl)urea;oxan-4-ylurea.
What is the SMILES notation for tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(oxan-4-ylcarbamoylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate;1-[6-[3-(2-hydroxypentoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-3-(oxan-4-yl)urea;oxan-4-ylurea?
The canonical SMILES for tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(oxan-4-ylcarbamoylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate;1-[6-[3-(2-hydroxypentoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-3-(oxan-4-yl)urea;oxan-4-ylurea is CC(C)n1ncc2c(Cl)cc(-c3cccc(OCC(CN(C)C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)c3)nc21.CC(C)n1ncc2c(NC(=O)NC3CCOCC3)cc(-c3cccc(OCC(CN(C)C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)c3)nc21.CCCC(O)COc1cccc(-c2cc(NC(=O)NC3CCOCC3)c3cnn(C(C)C)c3n2)c1.NC(=O)NC1CCOCC1.
What is the InChIKey of tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(oxan-4-ylcarbamoylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate;1-[6-[3-(2-hydroxypentoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-3-(oxan-4-yl)urea;oxan-4-ylurea?
The InChIKey is AVVACAZALYRNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H56N6O6Si.C30H45ClN4O4Si.C26H35N5O4.C6H12N2O2/c1-24(2)42-32-29(21-37-42)31(40-33(43)38-26-15-17-45-18-16-26)20-30(39-32)25-13-12-14-27(19-25)46-23-28(48-49(10,11)36(6,7)8)22-41(9)34(44)47-35(3,4)5;1-20(2)35-27-24(17-32-35)25(31)16-26(33-27)21-13-12-14-22(15-21)37-19-23(39-40(10,11)30(6,7)8)18-34(9)28(36)38-29(3,4)5;1-4-6-20(32)16-35-21-8-5-7-18(13-21)23-14-24(22-15-27-31(17(2)3)25(22)29-23)30-26(33)28-19-9-11-34-12-10-19;7-6(9)8-5-1-3-10-4-2-5/h12-14,19-21,24,26,28H,15-18,22-23H2,1-11H3,(H2,38,39,40,43);12-17,20,23H,18-19H2,1-11H3;5,7-8,13-15,17,19-20,32H,4,6,9-12,16H2,1-3H3,(H2,28,29,30,33);5H,1-4H2,(H3,7,8,9).
What are the key properties of tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(oxan-4-ylcarbamoylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate;1-[6-[3-(2-hydroxypentoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-3-(oxan-4-yl)urea;oxan-4-ylurea?
tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(oxan-4-ylcarbamoylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate;1-[6-[3-(2-hydroxypentoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-3-(oxan-4-yl)urea;oxan-4-ylurea has a molecular weight of 1911.99 g/mol, XLogP of 19.94, 30 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(oxan-4-ylcarbamoylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate;1-[6-[3-(2-hydroxypentoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-3-(oxan-4-yl)urea;oxan-4-ylurea is sourced from PubChem (CID 157246410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).