5-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrimidin-2-amine;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine

C119H73Cl4F11N28 — CID 159235988

IUPAC5-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrimidin-2-amine;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(-c2ncccc2-c2ccnc(N)n2)ccc1F.Clc1cccc(-c2ncccc2-c2ccn3nccc3n2)c1.FC(F)(F)c1cccc(-c2ncccc2-c2ccn3nccc3n2)c1.Fc1cc(F)c(-c2ncccc2-c2ccn3nccc3n2)cc1Cl.Fc1cc(F)c(-c2ncccc2-c2ccn3nccc3n2)cc1F.Fc1ccc(-c2ncccc2-c2ccn3nccc3n2)cc1Cl.Fc1ccc(Cl)cc1-c1ncccc1-c1ccn2nccc2n1
InChIInChI=1S/C18H11F3N4.C17H9ClF2N4.2C17H10ClFN4.C17H11ClN4.C17H9F3N4.C16H13FN4/c19-18(20,21)13-4-1-3-12(11-13)17-14(5-2-8-22-17)15-7-10-25-16(24-15)6-9-23-25;18-12-8-11(13(19)9-14(12)20)17-10(2-1-5-21-17)15-4-7-24-16(23-15)3-6-22-24;18-11-3-4-14(19)13(10-11)17-12(2-1-7-20-17)15-6-9-23-16(22-15)5-8-21-23;18-13-10-11(3-4-14(13)19)17-12(2-1-7-20-17)15-6-9-23-16(22-15)5-8-21-23;18-13-4-1-3-12(11-13)17-14(5-2-8-19-17)15-7-10-22-16(21-15)6-9-20-22;18-12-9-14(20)13(19)8-11(12)17-10(2-1-5-21-17)15-4-7-24-16(23-15)3-6-22-24;1-10-9-11(4-5-13(10)17)15-12(3-2-7-19-15)14-6-8-20-16(18)21-14/h1-11H;1-9H;2*1-10H;1-11H;1-9H;2-9H,1H3,(H2,18,20,21)
InChIKeyKTLZYMRTRVLYJP-UHFFFAOYSA-N
MW2245.88 g/mol
LogP28.59
Rot. Bonds14

About 5-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrimidin-2-amine;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine

5-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrimidin-2-amine;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 159235988) has the molecular formula C119H73Cl4F11N28 and a molecular weight of 2245.88 g/mol. Its IUPAC name is 5-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrimidin-2-amine;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrimidin-2-amine;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine
PubChem CID159235988
Molecular FormulaC119H73Cl4F11N28
Molecular Weight2245.88 g/mol
Exact Mass2242.52
IUPAC Name5-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrimidin-2-amine;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(-c2ncccc2-c2ccnc(N)n2)ccc1F.Clc1cccc(-c2ncccc2-c2ccn3nccc3n2)c1.FC(F)(F)c1cccc(-c2ncccc2-c2ccn3nccc3n2)c1.Fc1cc(F)c(-c2ncccc2-c2ccn3nccc3n2)cc1Cl.Fc1cc(F)c(-c2ncccc2-c2ccn3nccc3n2)cc1F.Fc1ccc(-c2ncccc2-c2ccn3nccc3n2)cc1Cl.Fc1ccc(Cl)cc1-c1ncccc1-c1ccn2nccc2n1
InChIInChI=1S/C18H11F3N4.C17H9ClF2N4.2C17H10ClFN4.C17H11ClN4.C17H9F3N4.C16H13FN4/c19-18(20,21)13-4-1-3-12(11-13)17-14(5-2-8-22-17)15-7-10-25-16(24-15)6-9-23-25;18-12-8-11(13(19)9-14(12)20)17-10(2-1-5-21-17)15-4-7-24-16(23-15)3-6-22-24;18-11-3-4-14(19)13(10-11)17-12(2-1-7-20-17)15-6-9-23-16(22-15)5-8-21-23;18-13-10-11(3-4-14(13)19)17-12(2-1-7-20-17)15-6-9-23-16(22-15)5-8-21-23;18-13-4-1-3-12(11-13)17-14(5-2-8-19-17)15-7-10-22-16(21-15)6-9-20-22;18-12-9-14(20)13(19)8-11(12)17-10(2-1-5-21-17)15-4-7-24-16(23-15)3-6-22-24;1-10-9-11(4-5-13(10)17)15-12(3-2-7-19-15)14-6-8-20-16(18)21-14/h1-11H;1-9H;2*1-10H;1-11H;1-9H;2-9H,1H3,(H2,18,20,21)
InChIKeyKTLZYMRTRVLYJP-UHFFFAOYSA-N
XLogP28.59
TPSA323.17 Ų
H-Bond Donors1
H-Bond Acceptors28
Rotatable Bonds14
Heavy Atoms162
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002245.88
LogP ≤ 528.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 5-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrimidin-2-amine;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrimidin-2-amine;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrimidin-2-amine;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine (CID 159235988) is 5-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrimidin-2-amine;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrimidin-2-amine;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrimidin-2-amine;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine is Cc1cc(-c2ncccc2-c2ccnc(N)n2)ccc1F.Clc1cccc(-c2ncccc2-c2ccn3nccc3n2)c1.FC(F)(F)c1cccc(-c2ncccc2-c2ccn3nccc3n2)c1.Fc1cc(F)c(-c2ncccc2-c2ccn3nccc3n2)cc1Cl.Fc1cc(F)c(-c2ncccc2-c2ccn3nccc3n2)cc1F.Fc1ccc(-c2ncccc2-c2ccn3nccc3n2)cc1Cl.Fc1ccc(Cl)cc1-c1ncccc1-c1ccn2nccc2n1.
What is the InChIKey of 5-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrimidin-2-amine;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is KTLZYMRTRVLYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N4.C17H9ClF2N4.2C17H10ClFN4.C17H11ClN4.C17H9F3N4.C16H13FN4/c19-18(20,21)13-4-1-3-12(11-13)17-14(5-2-8-22-17)15-7-10-25-16(24-15)6-9-23-25;18-12-8-11(13(19)9-14(12)20)17-10(2-1-5-21-17)15-4-7-24-16(23-15)3-6-22-24;18-11-3-4-14(19)13(10-11)17-12(2-1-7-20-17)15-6-9-23-16(22-15)5-8-21-23;18-13-10-11(3-4-14(13)19)17-12(2-1-7-20-17)15-6-9-23-16(22-15)5-8-21-23;18-13-4-1-3-12(11-13)17-14(5-2-8-19-17)15-7-10-22-16(21-15)6-9-20-22;18-12-9-14(20)13(19)8-11(12)17-10(2-1-5-21-17)15-4-7-24-16(23-15)3-6-22-24;1-10-9-11(4-5-13(10)17)15-12(3-2-7-19-15)14-6-8-20-16(18)21-14/h1-11H;1-9H;2*1-10H;1-11H;1-9H;2-9H,1H3,(H2,18,20,21).
What are the key properties of 5-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrimidin-2-amine;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine?
5-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrimidin-2-amine;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 2245.88 g/mol, XLogP of 28.59, 14 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrimidin-2-amine;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 159235988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).