N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide

C16H23BN4O3 — CID 6539540

IUPACN-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide
SMILESCCCC(=O)Nc1[nH]nc2ncc(B3OC(C)(C)C(C)(C)O3)cc12
InChIInChI=1S/C16H23BN4O3/c1-6-7-12(22)19-14-11-8-10(9-18-13(11)20-21-14)17-23-15(2,3)16(4,5)24-17/h8-9H,6-7H2,1-5H3,(H2,18,19,20,21,22)
InChIKeyZXYVYYGVHZWKGW-UHFFFAOYSA-N
MW330.20 g/mol
LogP2.00
Rot. Bonds4

About N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide

N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide (PubChem CID 6539540) has the molecular formula C16H23BN4O3 and a molecular weight of 330.20 g/mol. Its IUPAC name is N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide.

Molecular Properties

Compound NameN-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide
PubChem CID6539540
Molecular FormulaC16H23BN4O3
Molecular Weight330.20 g/mol
Exact Mass330.19
IUPAC NameN-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide
SMILESCCCC(=O)Nc1[nH]nc2ncc(B3OC(C)(C)C(C)(C)O3)cc12
InChIInChI=1S/C16H23BN4O3/c1-6-7-12(22)19-14-11-8-10(9-18-13(11)20-21-14)17-23-15(2,3)16(4,5)24-17/h8-9H,6-7H2,1-5H3,(H2,18,19,20,21,22)
InChIKeyZXYVYYGVHZWKGW-UHFFFAOYSA-N
XLogP2.00
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.20
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butanamide
CID 177477440
N-[3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propanamide
CID 76850018
N-[5-(3-fluorophenyl)sulfonyl-2H-pyrazolo[3,4-b]pyridin-3-yl]hexanamide
CID 142749646
N-[2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]prop-2-enamide
CID 123663894
N-[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butanamide
CID 164648968
methyl 2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]acetate
CID 91052509
3-ethynyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
CID 168973198
N-(5-phenyl-1H-pyrazol-3-yl)butanamide
CID 110868179
N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2H-triazole-4-carboxamide
CID 164648639
N-methyl-2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]amino]acetamide
CID 131552920
N-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 71113879
N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[2,3-d]pyrimidin-2-amine
CID 71304568

Frequently Asked Questions

What is the IUPAC name of N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide?
The IUPAC name of N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide (CID 6539540) is N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide.
What is the SMILES notation for N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide?
The canonical SMILES for N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide is CCCC(=O)Nc1[nH]nc2ncc(B3OC(C)(C)C(C)(C)O3)cc12.
What is the InChIKey of N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide?
The InChIKey is ZXYVYYGVHZWKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BN4O3/c1-6-7-12(22)19-14-11-8-10(9-18-13(11)20-21-14)17-23-15(2,3)16(4,5)24-17/h8-9H,6-7H2,1-5H3,(H2,18,19,20,21,22).
What are the key properties of N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide?
N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide has a molecular weight of 330.20 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide is sourced from PubChem (CID 6539540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).