2-methoxyethyl(trimethyl)silane;methyl-N-[(3R)-1-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]boronamidic acid

C23H37BN6O2Si — CID 167660713

IUPAC2-methoxyethyl(trimethyl)silane;methyl-N-[(3R)-1-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]boronamidic acid
SMILESCB(O)N[C@@H]1CCCN(c2ccnc3[nH]cc(-c4cncnc4)c23)C1.COCC[Si](C)(C)C
InChIInChI=1S/C17H21BN6O.C6H16OSi/c1-18(25)23-13-3-2-6-24(10-13)15-4-5-21-17-16(15)14(9-22-17)12-7-19-11-20-8-12;1-7-5-6-8(2,3)4/h4-5,7-9,11,13,23,25H,2-3,6,10H2,1H3,(H,21,22);5-6H2,1-4H3/t13-;/m1./s1
InChIKeyRXNBLTFJFMFJEV-BTQNPOSSSA-N
MW468.49 g/mol
LogP3.66
Rot. Bonds7

About 2-methoxyethyl(trimethyl)silane;methyl-N-[(3R)-1-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]boronamidic acid

2-methoxyethyl(trimethyl)silane;methyl-N-[(3R)-1-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]boronamidic acid (PubChem CID 167660713) has the molecular formula C23H37BN6O2Si and a molecular weight of 468.49 g/mol. Its IUPAC name is 2-methoxyethyl(trimethyl)silane;methyl-N-[(3R)-1-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]boronamidic acid.

Molecular Properties

Compound Name2-methoxyethyl(trimethyl)silane;methyl-N-[(3R)-1-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]boronamidic acid
PubChem CID167660713
Molecular FormulaC23H37BN6O2Si
Molecular Weight468.49 g/mol
Exact Mass468.28
IUPAC Name2-methoxyethyl(trimethyl)silane;methyl-N-[(3R)-1-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]boronamidic acid
SMILESCB(O)N[C@@H]1CCCN(c2ccnc3[nH]cc(-c4cncnc4)c23)C1.COCC[Si](C)(C)C
InChIInChI=1S/C17H21BN6O.C6H16OSi/c1-18(25)23-13-3-2-6-24(10-13)15-4-5-21-17-16(15)14(9-22-17)12-7-19-11-20-8-12;1-7-5-6-8(2,3)4/h4-5,7-9,11,13,23,25H,2-3,6,10H2,1H3,(H,21,22);5-6H2,1-4H3/t13-;/m1./s1
InChIKeyRXNBLTFJFMFJEV-BTQNPOSSSA-N
XLogP3.66
TPSA99.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.49
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyethyl(trimethyl)silane;methyl-N-[1-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]boronamidic acid
CID 167660714
N-cyclopropyl-methyl-N-[(3S)-1-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]boronamidic acid;2-methoxyethyl(trimethyl)silane
CID 167623839
(3R)-N-ethyl-1-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-amine
CID 165156760
N-methyl-N'-[1-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]ethane-1,2-diamine
CID 165156646
CID 167588450
CID 167588450
6-[4-[(3R)-3-(methylamino)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-3-amine
CID 165156679
4-[(3S)-3-ethylpiperidin-1-yl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 167612656
4-[4-[(3S)-3-ethylpiperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-thiazole
CID 167591577
4-[(3S)-3-ethylpiperidin-1-yl]-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine
CID 167687788
methyl-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)pyrrolidin-3-yl]boronamidic acid
CID 136610775
tert-butyl N-[4-(dimethylcarbamoyl)-1-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]carbamate
CID 167191136
4-(piperidin-3-ylmethoxy)-3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridine
CID 165156703

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl(trimethyl)silane;methyl-N-[(3R)-1-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]boronamidic acid?
The IUPAC name of 2-methoxyethyl(trimethyl)silane;methyl-N-[(3R)-1-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]boronamidic acid (CID 167660713) is 2-methoxyethyl(trimethyl)silane;methyl-N-[(3R)-1-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]boronamidic acid.
What is the SMILES notation for 2-methoxyethyl(trimethyl)silane;methyl-N-[(3R)-1-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]boronamidic acid?
The canonical SMILES for 2-methoxyethyl(trimethyl)silane;methyl-N-[(3R)-1-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]boronamidic acid is CB(O)N[C@@H]1CCCN(c2ccnc3[nH]cc(-c4cncnc4)c23)C1.COCC[Si](C)(C)C.
What is the InChIKey of 2-methoxyethyl(trimethyl)silane;methyl-N-[(3R)-1-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]boronamidic acid?
The InChIKey is RXNBLTFJFMFJEV-BTQNPOSSSA-N. The full InChI is InChI=1S/C17H21BN6O.C6H16OSi/c1-18(25)23-13-3-2-6-24(10-13)15-4-5-21-17-16(15)14(9-22-17)12-7-19-11-20-8-12;1-7-5-6-8(2,3)4/h4-5,7-9,11,13,23,25H,2-3,6,10H2,1H3,(H,21,22);5-6H2,1-4H3/t13-;/m1./s1.
What are the key properties of 2-methoxyethyl(trimethyl)silane;methyl-N-[(3R)-1-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]boronamidic acid?
2-methoxyethyl(trimethyl)silane;methyl-N-[(3R)-1-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]boronamidic acid has a molecular weight of 468.49 g/mol, XLogP of 3.66, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl(trimethyl)silane;methyl-N-[(3R)-1-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]boronamidic acid is sourced from PubChem (CID 167660713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).