5-chloro-N-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine;(3,5-dimethyl-1,2-oxazol-4-yl)boronic acid;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine

C35H32BClF2N10O4 — CID 159771541

IUPAC5-chloro-N-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine;(3,5-dimethyl-1,2-oxazol-4-yl)boronic acid;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCN(c1ccc(F)cc1)c1cc(Cl)nc2ccnn12.Cc1noc(C)c1-c1cc(Nc2ccc(F)cc2)n2nccc2n1.Cc1noc(C)c1B(O)O
InChIInChI=1S/C17H14FN5O.C13H10ClFN4.C5H8BNO3/c1-10-17(11(2)24-22-10)14-9-16(23-15(21-14)7-8-19-23)20-13-5-3-12(18)4-6-13;1-18(10-4-2-9(15)3-5-10)13-8-11(14)17-12-6-7-16-19(12)13;1-3-5(6(8)9)4(2)10-7-3/h3-9,20H,1-2H3;2-8H,1H3;8-9H,1-2H3
InChIKeyNGEDVKLNPPEMSV-UHFFFAOYSA-N
MW740.97 g/mol
LogP6.14
Rot. Bonds6

About 5-chloro-N-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine;(3,5-dimethyl-1,2-oxazol-4-yl)boronic acid;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine

5-chloro-N-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine;(3,5-dimethyl-1,2-oxazol-4-yl)boronic acid;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 159771541) has the molecular formula C35H32BClF2N10O4 and a molecular weight of 740.97 g/mol. Its IUPAC name is 5-chloro-N-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine;(3,5-dimethyl-1,2-oxazol-4-yl)boronic acid;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine;(3,5-dimethyl-1,2-oxazol-4-yl)boronic acid;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID159771541
Molecular FormulaC35H32BClF2N10O4
Molecular Weight740.97 g/mol
Exact Mass740.24
IUPAC Name5-chloro-N-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine;(3,5-dimethyl-1,2-oxazol-4-yl)boronic acid;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCN(c1ccc(F)cc1)c1cc(Cl)nc2ccnn12.Cc1noc(C)c1-c1cc(Nc2ccc(F)cc2)n2nccc2n1.Cc1noc(C)c1B(O)O
InChIInChI=1S/C17H14FN5O.C13H10ClFN4.C5H8BNO3/c1-10-17(11(2)24-22-10)14-9-16(23-15(21-14)7-8-19-23)20-13-5-3-12(18)4-6-13;1-18(10-4-2-9(15)3-5-10)13-8-11(14)17-12-6-7-16-19(12)13;1-3-5(6(8)9)4(2)10-7-3/h3-9,20H,1-2H3;2-8H,1H3;8-9H,1-2H3
InChIKeyNGEDVKLNPPEMSV-UHFFFAOYSA-N
XLogP6.14
TPSA168.17 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500740.97
LogP ≤ 56.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 5-chloro-N-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine;(3,5-dimethyl-1,2-oxazol-4-yl)boronic acid;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 11198084
5-chloro-4-[(7R)-5-[difluoro(1,2-oxazol-3-yl)methyl]-7-(fluoromethyl)-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-11-yl]-N-(2-methylpyrazol-3-yl)pyridin-2-amine
CID 155376586
5-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine
CID 108771992
6-Chloro-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine;3-(5,6-dichloro-1,2,4-triazin-3-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine;(3,5-dimethyl-1,2-oxazol-4-yl)boronic acid;6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine
CID 159955607
6-chloro-1H-pyrazolo[5,4-b]pyridine;(3,5-dimethyl-1,2-oxazol-4-yl)boronic acid;3,5-dimethyl-4-(1H-pyrazolo[5,4-b]pyridin-6-yl)-1,2-oxazole
CID 163463210

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine;(3,5-dimethyl-1,2-oxazol-4-yl)boronic acid;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine;(3,5-dimethyl-1,2-oxazol-4-yl)boronic acid;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 159771541) is 5-chloro-N-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine;(3,5-dimethyl-1,2-oxazol-4-yl)boronic acid;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine;(3,5-dimethyl-1,2-oxazol-4-yl)boronic acid;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine;(3,5-dimethyl-1,2-oxazol-4-yl)boronic acid;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine is CN(c1ccc(F)cc1)c1cc(Cl)nc2ccnn12.Cc1noc(C)c1-c1cc(Nc2ccc(F)cc2)n2nccc2n1.Cc1noc(C)c1B(O)O.
What is the InChIKey of 5-chloro-N-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine;(3,5-dimethyl-1,2-oxazol-4-yl)boronic acid;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is NGEDVKLNPPEMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O.C13H10ClFN4.C5H8BNO3/c1-10-17(11(2)24-22-10)14-9-16(23-15(21-14)7-8-19-23)20-13-5-3-12(18)4-6-13;1-18(10-4-2-9(15)3-5-10)13-8-11(14)17-12-6-7-16-19(12)13;1-3-5(6(8)9)4(2)10-7-3/h3-9,20H,1-2H3;2-8H,1H3;8-9H,1-2H3.
What are the key properties of 5-chloro-N-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine;(3,5-dimethyl-1,2-oxazol-4-yl)boronic acid;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine;(3,5-dimethyl-1,2-oxazol-4-yl)boronic acid;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 740.97 g/mol, XLogP of 6.14, 6 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine;(3,5-dimethyl-1,2-oxazol-4-yl)boronic acid;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 159771541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).