6-amino-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-3-iodo-5H-pyrrolo[3,2-c]pyridin-4-one;6-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-iodo-5H-pyrrolo[3,2-c]pyridin-4-one

C30H42I2N6O8Si — CID 158526187

IUPAC6-amino-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-3-iodo-5H-pyrrolo[3,2-c]pyridin-4-one;6-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-iodo-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCC(C)(C)[Si](C)(C)OCC1OC(n2cc(I)c3c(=O)[nH]c(N)cc32)CC1O.Nc1cc2c(c(I)cn2C2CC(O)C(CO)O2)c(=O)[nH]1
InChIInChI=1S/C18H28IN3O4Si.C12H14IN3O4/c1-18(2,3)27(4,5)25-9-13-12(23)7-15(26-13)22-8-10(19)16-11(22)6-14(20)21-17(16)24;13-5-3-16(10-2-7(18)8(4-17)20-10)6-1-9(14)15-12(19)11(5)6/h6,8,12-13,15,23H,7,9H2,1-5H3,(H3,20,21,24);1,3,7-8,10,17-18H,2,4H2,(H3,14,15,19)
InChIKeyHMUUFJTUOVHJAY-UHFFFAOYSA-N
MW896.59 g/mol
LogP3.34
Rot. Bonds6

About 6-amino-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-3-iodo-5H-pyrrolo[3,2-c]pyridin-4-one;6-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-iodo-5H-pyrrolo[3,2-c]pyridin-4-one

6-amino-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-3-iodo-5H-pyrrolo[3,2-c]pyridin-4-one;6-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-iodo-5H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 158526187) has the molecular formula C30H42I2N6O8Si and a molecular weight of 896.59 g/mol. Its IUPAC name is 6-amino-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-3-iodo-5H-pyrrolo[3,2-c]pyridin-4-one;6-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-iodo-5H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name6-amino-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-3-iodo-5H-pyrrolo[3,2-c]pyridin-4-one;6-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-iodo-5H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID158526187
Molecular FormulaC30H42I2N6O8Si
Molecular Weight896.59 g/mol
Exact Mass896.09
IUPAC Name6-amino-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-3-iodo-5H-pyrrolo[3,2-c]pyridin-4-one;6-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-iodo-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCC(C)(C)[Si](C)(C)OCC1OC(n2cc(I)c3c(=O)[nH]c(N)cc32)CC1O.Nc1cc2c(c(I)cn2C2CC(O)C(CO)O2)c(=O)[nH]1
InChIInChI=1S/C18H28IN3O4Si.C12H14IN3O4/c1-18(2,3)27(4,5)25-9-13-12(23)7-15(26-13)22-8-10(19)16-11(22)6-14(20)21-17(16)24;13-5-3-16(10-2-7(18)8(4-17)20-10)6-1-9(14)15-12(19)11(5)6/h6,8,12-13,15,23H,7,9H2,1-5H3,(H3,20,21,24);1,3,7-8,10,17-18H,2,4H2,(H3,14,15,19)
InChIKeyHMUUFJTUOVHJAY-UHFFFAOYSA-N
XLogP3.34
TPSA216.00 Ų
H-Bond Donors7
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500896.59
LogP ≤ 53.34
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 6-amino-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-3-iodo-5H-pyrrolo[3,2-c]pyridin-4-one;6-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-iodo-5H-pyrrolo[3,2-c]pyridin-4-one with MolForge

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Related Compounds

4-amino-1-[(2S,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-iodopyrimidin-2-one
CID 176808452
actinium;1-[(2R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-iodopyrimidine-2,4-dione
CID 59082571
1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 557070
6-amino-3-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-imidazo[4,5-c]pyridin-4-one
CID 11967941
1-[(2R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylsulfanyloxyoxolan-2-yl]-5-iodopyrimidine-2,4-dione
CID 140914218
1-[(2R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-hydroxyethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 15332182
1-[(2R,4S,5R)-4-hydroxy-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxolan-2-yl]-5-iodopyrimidine-2,4-dione
CID 10075230
4-amino-1-[(2R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-prop-2-enoxyoxolan-2-yl]-5-iodopyrimidin-2-one
CID 58060003
(2S,3R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 154810042
5-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 70974098
[3-hydroxy-5-(5-iodo-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-methylpropanoate
CID 23276080
N-[3-[4-amino-1-[(2R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide
CID 87338372

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-3-iodo-5H-pyrrolo[3,2-c]pyridin-4-one;6-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-iodo-5H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 6-amino-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-3-iodo-5H-pyrrolo[3,2-c]pyridin-4-one;6-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-iodo-5H-pyrrolo[3,2-c]pyridin-4-one (CID 158526187) is 6-amino-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-3-iodo-5H-pyrrolo[3,2-c]pyridin-4-one;6-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-iodo-5H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 6-amino-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-3-iodo-5H-pyrrolo[3,2-c]pyridin-4-one;6-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-iodo-5H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 6-amino-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-3-iodo-5H-pyrrolo[3,2-c]pyridin-4-one;6-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-iodo-5H-pyrrolo[3,2-c]pyridin-4-one is CC(C)(C)[Si](C)(C)OCC1OC(n2cc(I)c3c(=O)[nH]c(N)cc32)CC1O.Nc1cc2c(c(I)cn2C2CC(O)C(CO)O2)c(=O)[nH]1.
What is the InChIKey of 6-amino-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-3-iodo-5H-pyrrolo[3,2-c]pyridin-4-one;6-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-iodo-5H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is HMUUFJTUOVHJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28IN3O4Si.C12H14IN3O4/c1-18(2,3)27(4,5)25-9-13-12(23)7-15(26-13)22-8-10(19)16-11(22)6-14(20)21-17(16)24;13-5-3-16(10-2-7(18)8(4-17)20-10)6-1-9(14)15-12(19)11(5)6/h6,8,12-13,15,23H,7,9H2,1-5H3,(H3,20,21,24);1,3,7-8,10,17-18H,2,4H2,(H3,14,15,19).
What are the key properties of 6-amino-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-3-iodo-5H-pyrrolo[3,2-c]pyridin-4-one;6-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-iodo-5H-pyrrolo[3,2-c]pyridin-4-one?
6-amino-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-3-iodo-5H-pyrrolo[3,2-c]pyridin-4-one;6-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-iodo-5H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 896.59 g/mol, XLogP of 3.34, 6 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-3-iodo-5H-pyrrolo[3,2-c]pyridin-4-one;6-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-iodo-5H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 158526187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).