5-(dioxaboriran-3-yl)-2-methylpyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine

C19H23B2N3O4 — CID 143998260

IUPAC5-(dioxaboriran-3-yl)-2-methylpyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCC1(C)OB(c2cnc3[nH]ccc3c2)OC1(C)C.Cc1ccc(B2OO2)cn1
InChIInChI=1S/C13H17BN2O2.C6H6BNO2/c1-12(2)13(3,4)18-14(17-12)10-7-9-5-6-15-11(9)16-8-10;1-5-2-3-6(4-8-5)7-9-10-7/h5-8H,1-4H3,(H,15,16);2-4H,1H3
InChIKeyHVDQAJJVRAHVOS-UHFFFAOYSA-N
MW379.03 g/mol
LogP1.91
Rot. Bonds2

About 5-(dioxaboriran-3-yl)-2-methylpyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine

5-(dioxaboriran-3-yl)-2-methylpyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 143998260) has the molecular formula C19H23B2N3O4 and a molecular weight of 379.03 g/mol. Its IUPAC name is 5-(dioxaboriran-3-yl)-2-methylpyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-(dioxaboriran-3-yl)-2-methylpyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID143998260
Molecular FormulaC19H23B2N3O4
Molecular Weight379.03 g/mol
Exact Mass379.19
IUPAC Name5-(dioxaboriran-3-yl)-2-methylpyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCC1(C)OB(c2cnc3[nH]ccc3c2)OC1(C)C.Cc1ccc(B2OO2)cn1
InChIInChI=1S/C13H17BN2O2.C6H6BNO2/c1-12(2)13(3,4)18-14(17-12)10-7-9-5-6-15-11(9)16-8-10;1-5-2-3-6(4-8-5)7-9-10-7/h5-8H,1-4H3,(H,15,16);2-4H,1H3
InChIKeyHVDQAJJVRAHVOS-UHFFFAOYSA-N
XLogP1.91
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.03
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 5-(dioxaboriran-3-yl)-2-methylpyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2-{3-(Aminomethyl)-5-[2-(1h-Pyrrolo[2,3-B]pyridin-6-Yl)ethyl]phenyl}ethyl)-4-Methylpyridin-2-Amine
CID 86346622
4-Butyl-6-(1h-Pyrrolo[2,3-B]pyridin-3-Yl)pyrimidin-2-Amine
CID 25110819
cyclohexylmethyl-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amine
CID 11645208
4-(3-aminopropyl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 25164571
4-(4-aminobutyl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 25164572
4-[5-(6-amino-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-ethylpyrimidin-2-amine
CID 25165371
N-cyclohexyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 44415977
trans-N1-(4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl)cyclohexane-1,4-diamine
CID 44415999
N-cyclohexyl-6-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
CID 66888175
N-benzyl-6-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
CID 66900677
(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyridin-4-ylmethyl-amine
CID 44317576
3-(2-pyrrolidin-1-ylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 137632536

Frequently Asked Questions

What is the IUPAC name of 5-(dioxaboriran-3-yl)-2-methylpyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-(dioxaboriran-3-yl)-2-methylpyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine (CID 143998260) is 5-(dioxaboriran-3-yl)-2-methylpyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-(dioxaboriran-3-yl)-2-methylpyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-(dioxaboriran-3-yl)-2-methylpyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine is CC1(C)OB(c2cnc3[nH]ccc3c2)OC1(C)C.Cc1ccc(B2OO2)cn1.
What is the InChIKey of 5-(dioxaboriran-3-yl)-2-methylpyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is HVDQAJJVRAHVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BN2O2.C6H6BNO2/c1-12(2)13(3,4)18-14(17-12)10-7-9-5-6-15-11(9)16-8-10;1-5-2-3-6(4-8-5)7-9-10-7/h5-8H,1-4H3,(H,15,16);2-4H,1H3.
What are the key properties of 5-(dioxaboriran-3-yl)-2-methylpyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine?
5-(dioxaboriran-3-yl)-2-methylpyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 379.03 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dioxaboriran-3-yl)-2-methylpyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 143998260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).