[3-(3-iodo-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]-morpholin-4-ylmethanone;[3-[3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;[3-[3-(2-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone

C63H65I2N13O8Si — CID 157194112

IUPAC[3-(3-iodo-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]-morpholin-4-ylmethanone;[3-[3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;[3-[3-(2-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
SMILESCOc1ncccc1-c1[nH]nc2ncc(-c3cccc(C(=O)N4CCOCC4)c3)cc12.C[Si](C)(C)CCOCn1nc(I)c2cc(-c3cccc(C(=O)N4CCOCC4)c3)cnc21.O=C(c1cccc(-c2cnc3n[nH]c(I)c3c2)c1)N1CCOCC1
InChIInChI=1S/C23H29IN4O3Si.C23H21N5O3.C17H15IN4O2/c1-32(2,3)12-11-31-16-28-22-20(21(24)26-28)14-19(15-25-22)17-5-4-6-18(13-17)23(29)27-7-9-30-10-8-27;1-30-22-18(6-3-7-24-22)20-19-13-17(14-25-21(19)27-26-20)15-4-2-5-16(12-15)23(29)28-8-10-31-11-9-28;18-15-14-9-13(10-19-16(14)21-20-15)11-2-1-3-12(8-11)17(23)22-4-6-24-7-5-22/h4-6,13-15H,7-12,16H2,1-3H3;2-7,12-14H,8-11H2,1H3,(H,25,26,27);1-3,8-10H,4-7H2,(H,19,20,21)
InChIKeyAQAQVXZMYPNMMM-UHFFFAOYSA-N
MW1414.19 g/mol
LogP10.36
Rot. Bonds13

About [3-(3-iodo-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]-morpholin-4-ylmethanone;[3-[3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;[3-[3-(2-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone

[3-(3-iodo-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]-morpholin-4-ylmethanone;[3-[3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;[3-[3-(2-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 157194112) has the molecular formula C63H65I2N13O8Si and a molecular weight of 1414.19 g/mol. Its IUPAC name is [3-(3-iodo-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]-morpholin-4-ylmethanone;[3-[3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;[3-[3-(2-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(3-iodo-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]-morpholin-4-ylmethanone;[3-[3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;[3-[3-(2-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID157194112
Molecular FormulaC63H65I2N13O8Si
Molecular Weight1414.19 g/mol
Exact Mass1413.29
IUPAC Name[3-(3-iodo-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]-morpholin-4-ylmethanone;[3-[3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;[3-[3-(2-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
SMILESCOc1ncccc1-c1[nH]nc2ncc(-c3cccc(C(=O)N4CCOCC4)c3)cc12.C[Si](C)(C)CCOCn1nc(I)c2cc(-c3cccc(C(=O)N4CCOCC4)c3)cnc21.O=C(c1cccc(-c2cnc3n[nH]c(I)c3c2)c1)N1CCOCC1
InChIInChI=1S/C23H29IN4O3Si.C23H21N5O3.C17H15IN4O2/c1-32(2,3)12-11-31-16-28-22-20(21(24)26-28)14-19(15-25-22)17-5-4-6-18(13-17)23(29)27-7-9-30-10-8-27;1-30-22-18(6-3-7-24-22)20-19-13-17(14-25-21(19)27-26-20)15-4-2-5-16(12-15)23(29)28-8-10-31-11-9-28;18-15-14-9-13(10-19-16(14)21-20-15)11-2-1-3-12(8-11)17(23)22-4-6-24-7-5-22/h4-6,13-15H,7-12,16H2,1-3H3;2-7,12-14H,8-11H2,1H3,(H,25,26,27);1-3,8-10H,4-7H2,(H,19,20,21)
InChIKeyAQAQVXZMYPNMMM-UHFFFAOYSA-N
XLogP10.36
TPSA233.82 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001414.19
LogP ≤ 510.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze [3-(3-iodo-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]-morpholin-4-ylmethanone;[3-[3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;[3-[3-(2-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

3-[4-amino-1-[2-[benzoyl(prop-2-enoyl)amino]ethyl]-3-(5-fluoro-6-methoxy-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-6-yl]-N-[2-[4-amino-3-(1H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-N-prop-2-enoylbenzamide
CID 137156323
[3-[3-(2,4-dimethoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
CID 11517955
[3-[3-(4,6-dimethoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
CID 59836014
[3-[3-(2-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
CID 59836038
[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 59836051
2-[4-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzoyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 59836091
{3-[3-(2-Methoxy-phenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]-phenyl}-(4-pyrimidin-2-yl-piperazin-1-yl)-methanone
CID 59836096
[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]methanone
CID 59836108
{3-[3-(2-methoxy-pyridin-3-yl)-1-(2-trimethylsilanyl-ethoxymethyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]-phenyl}-morpholin-4-yl-methanone
CID 68617336
2-[acetyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-4-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzamide;N-[2-(dimethylamino)ethyl]-4-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-2-(methylamino)benzamide
CID 87650646
N-methyl-3-[6-[[4-[[6-methyl-3-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-4-yl]oxy]oxan-2-yl]methyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide
CID 123917063
2-hydroxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide;2-hydroxy-2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide
CID 157109963

Frequently Asked Questions

What is the IUPAC name of [3-(3-iodo-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]-morpholin-4-ylmethanone;[3-[3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;[3-[3-(2-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(3-iodo-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]-morpholin-4-ylmethanone;[3-[3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;[3-[3-(2-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone (CID 157194112) is [3-(3-iodo-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]-morpholin-4-ylmethanone;[3-[3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;[3-[3-(2-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(3-iodo-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]-morpholin-4-ylmethanone;[3-[3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;[3-[3-(2-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(3-iodo-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]-morpholin-4-ylmethanone;[3-[3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;[3-[3-(2-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone is COc1ncccc1-c1[nH]nc2ncc(-c3cccc(C(=O)N4CCOCC4)c3)cc12.C[Si](C)(C)CCOCn1nc(I)c2cc(-c3cccc(C(=O)N4CCOCC4)c3)cnc21.O=C(c1cccc(-c2cnc3n[nH]c(I)c3c2)c1)N1CCOCC1.
What is the InChIKey of [3-(3-iodo-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]-morpholin-4-ylmethanone;[3-[3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;[3-[3-(2-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is AQAQVXZMYPNMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29IN4O3Si.C23H21N5O3.C17H15IN4O2/c1-32(2,3)12-11-31-16-28-22-20(21(24)26-28)14-19(15-25-22)17-5-4-6-18(13-17)23(29)27-7-9-30-10-8-27;1-30-22-18(6-3-7-24-22)20-19-13-17(14-25-21(19)27-26-20)15-4-2-5-16(12-15)23(29)28-8-10-31-11-9-28;18-15-14-9-13(10-19-16(14)21-20-15)11-2-1-3-12(8-11)17(23)22-4-6-24-7-5-22/h4-6,13-15H,7-12,16H2,1-3H3;2-7,12-14H,8-11H2,1H3,(H,25,26,27);1-3,8-10H,4-7H2,(H,19,20,21).
What are the key properties of [3-(3-iodo-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]-morpholin-4-ylmethanone;[3-[3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;[3-[3-(2-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone?
[3-(3-iodo-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]-morpholin-4-ylmethanone;[3-[3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;[3-[3-(2-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 1414.19 g/mol, XLogP of 10.36, 13 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-iodo-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]-morpholin-4-ylmethanone;[3-[3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;[3-[3-(2-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 157194112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).