[7-cyclopropyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-[(2R)-2-methylazepan-1-yl]methanone

C23H33BN4O3 — CID 140862326

IUPAC[7-cyclopropyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-[(2R)-2-methylazepan-1-yl]methanone
SMILESC[C@@H]1CCCCCN1C(=O)c1cc(C2CC2)n2nc(B3OC(C)(C)C(C)(C)O3)cc2n1
InChIInChI=1S/C23H33BN4O3/c1-15-9-7-6-8-12-27(15)21(29)17-13-18(16-10-11-16)28-20(25-17)14-19(26-28)24-30-22(2,3)23(4,5)31-24/h13-16H,6-12H2,1-5H3/t15-/m1/s1
InChIKeyQFGRNCWHYQJODM-OAHLLOKOSA-N
MW424.35 g/mol
LogP3.31
Rot. Bonds3

About [7-cyclopropyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-[(2R)-2-methylazepan-1-yl]methanone

[7-cyclopropyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-[(2R)-2-methylazepan-1-yl]methanone (PubChem CID 140862326) has the molecular formula C23H33BN4O3 and a molecular weight of 424.35 g/mol. Its IUPAC name is [7-cyclopropyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-[(2R)-2-methylazepan-1-yl]methanone.

Molecular Properties

Compound Name[7-cyclopropyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-[(2R)-2-methylazepan-1-yl]methanone
PubChem CID140862326
Molecular FormulaC23H33BN4O3
Molecular Weight424.35 g/mol
Exact Mass424.26
IUPAC Name[7-cyclopropyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-[(2R)-2-methylazepan-1-yl]methanone
SMILESC[C@@H]1CCCCCN1C(=O)c1cc(C2CC2)n2nc(B3OC(C)(C)C(C)(C)O3)cc2n1
InChIInChI=1S/C23H33BN4O3/c1-15-9-7-6-8-12-27(15)21(29)17-13-18(16-10-11-16)28-20(25-17)14-19(26-28)24-30-22(2,3)23(4,5)31-24/h13-16H,6-12H2,1-5H3/t15-/m1/s1
InChIKeyQFGRNCWHYQJODM-OAHLLOKOSA-N
XLogP3.31
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.35
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [7-cyclopropyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-[(2R)-2-methylazepan-1-yl]methanone 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

[2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-7-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidin-5-yl]-[(2R)-2-methylazepan-1-yl]methanone
CID 140862290
trans-(1S,2S)-2-[3-[7-cyclopropyl-5-[(2R)-2-methylazepane-1-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-2-fluoro-1-methylcyclohexa-2,4-dien-1-yl]cyclopropane-1-carboxylic acid
CID 134439263
[2-bromo-7-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidin-5-yl]-[(2R)-2-methylazepan-1-yl]methanone
CID 134430833
2-[3-[7-cyclopropyl-5-[(2R)-2-methylazepane-1-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-2-fluorophenyl]cyclopropane-1-carboxylic acid
CID 134439265
(1S)-2-[3-[7-cyclobutyl-5-[(2R)-2-methylazepane-1-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-2-fluorophenyl]cyclopropane-1-carboxylic acid;(1S)-2-[3-[7-cyclopropyl-5-[(2R)-2-methylazepane-1-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-2-fluorophenyl]cyclopropane-1-carboxylic acid
CID 157213859
methyl 3-[4-[7-cyclopropyl-5-[(2R)-2-methylazepane-1-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]propanoate
CID 145178390
methyl (3S)-1-[4-[7-cyclopropyl-5-[(2R)-2-methylazepane-1-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]pyrrolidine-3-carboxylate
CID 122663478
[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-(2-methylpiperidin-1-yl)methanone
CID 176731092
ethyl (1S)-2-[3-[7-cyclopropyl-5-[(2R)-2-methylazepane-1-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-2-fluorophenyl]cyclopropane-1-carboxylate
CID 134430858
6-[4-[7-cyclobutyl-5-[(2R)-2-methylazepane-1-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]pyridine-3-carboxylic acid
CID 134431093
(5-cyclopropyl-1,2-oxazol-3-yl)-(2-methylpiperidin-1-yl)methanone
CID 22427517
[7-ethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone
CID 145178705

Frequently Asked Questions

What is the IUPAC name of [7-cyclopropyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-[(2R)-2-methylazepan-1-yl]methanone?
The IUPAC name of [7-cyclopropyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-[(2R)-2-methylazepan-1-yl]methanone (CID 140862326) is [7-cyclopropyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-[(2R)-2-methylazepan-1-yl]methanone.
What is the SMILES notation for [7-cyclopropyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-[(2R)-2-methylazepan-1-yl]methanone?
The canonical SMILES for [7-cyclopropyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-[(2R)-2-methylazepan-1-yl]methanone is C[C@@H]1CCCCCN1C(=O)c1cc(C2CC2)n2nc(B3OC(C)(C)C(C)(C)O3)cc2n1.
What is the InChIKey of [7-cyclopropyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-[(2R)-2-methylazepan-1-yl]methanone?
The InChIKey is QFGRNCWHYQJODM-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H33BN4O3/c1-15-9-7-6-8-12-27(15)21(29)17-13-18(16-10-11-16)28-20(25-17)14-19(26-28)24-30-22(2,3)23(4,5)31-24/h13-16H,6-12H2,1-5H3/t15-/m1/s1.
What are the key properties of [7-cyclopropyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-[(2R)-2-methylazepan-1-yl]methanone?
[7-cyclopropyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-[(2R)-2-methylazepan-1-yl]methanone has a molecular weight of 424.35 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-cyclopropyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-[(2R)-2-methylazepan-1-yl]methanone is sourced from PubChem (CID 140862326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).