5-[2-(5-chloro-2,4-difluorophenyl)-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;5-[2-(2,5-dichlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-[3-(difluoromethoxy)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrimidin-2-amine

C102H65Cl5F6N24O — CID 160501810

IUPAC5-[2-(5-chloro-2,4-difluorophenyl)-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;5-[2-(2,5-dichlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-[3-(difluoromethoxy)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrimidin-2-amine
SMILESCc1cc(-c2ncccc2-c2ccnc(N)n2)ccc1F.Clc1ccc(Cl)c(-c2ncccc2-c2ccn3nccc3n2)c1.Clc1cccc(-c2ncccc2-c2ccn3nccc3n2)c1.FC(F)Oc1cccc(-c2ncccc2-c2ccn3nccc3n2)c1.Fc1cc(F)c(-c2ncccc2-c2ccn3nccc3n2)cc1Cl.Fc1ccc(Cl)cc1-c1ncccc1-c1ccn2nccc2n1
InChIInChI=1S/C18H12F2N4O.C17H10Cl2N4.C17H9ClF2N4.C17H10ClFN4.C17H11ClN4.C16H13FN4/c19-18(20)25-13-4-1-3-12(11-13)17-14(5-2-8-21-17)15-7-10-24-16(23-15)6-9-22-24;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;18-12-8-11(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;18-13-4-1-3-12(11-13)17-14(5-2-8-19-17)15-7-10-22-16(21-15)6-9-20-22;1-10-9-11(4-5-13(10)17)15-12(3-2-7-19-15)14-6-8-20-16(18)21-14/h1-11,18H;1-10H;1-9H;1-10H;1-11H;2-9H,1H3,(H2,18,20,21)
InChIKeyQRWNSPJJNKZWQI-UHFFFAOYSA-N
MW1934.06 g/mol
LogP24.81
Rot. Bonds14

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

5-[2-(5-chloro-2,4-difluorophenyl)-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;5-[2-(2,5-dichlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-[3-(difluoromethoxy)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrimidin-2-amine (PubChem CID 160501810) has the molecular formula C102H65Cl5F6N24O and a molecular weight of 1934.06 g/mol. Its IUPAC name is 5-[2-(5-chloro-2,4-difluorophenyl)-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;5-[2-(2,5-dichlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-[3-(difluoromethoxy)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-(5-chloro-2,4-difluorophenyl)-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;5-[2-(2,5-dichlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-[3-(difluoromethoxy)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrimidin-2-amine
PubChem CID160501810
Molecular FormulaC102H65Cl5F6N24O
Molecular Weight1934.06 g/mol
Exact Mass1930.41
IUPAC Name5-[2-(5-chloro-2,4-difluorophenyl)-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;5-[2-(2,5-dichlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-[3-(difluoromethoxy)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrimidin-2-amine
SMILESCc1cc(-c2ncccc2-c2ccnc(N)n2)ccc1F.Clc1ccc(Cl)c(-c2ncccc2-c2ccn3nccc3n2)c1.Clc1cccc(-c2ncccc2-c2ccn3nccc3n2)c1.FC(F)Oc1cccc(-c2ncccc2-c2ccn3nccc3n2)c1.Fc1cc(F)c(-c2ncccc2-c2ccn3nccc3n2)cc1Cl.Fc1ccc(Cl)cc1-c1ncccc1-c1ccn2nccc2n1
InChIInChI=1S/C18H12F2N4O.C17H10Cl2N4.C17H9ClF2N4.C17H10ClFN4.C17H11ClN4.C16H13FN4/c19-18(20)25-13-4-1-3-12(11-13)17-14(5-2-8-21-17)15-7-10-24-16(23-15)6-9-22-24;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;18-12-8-11(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;18-13-4-1-3-12(11-13)17-14(5-2-8-19-17)15-7-10-22-16(21-15)6-9-20-22;1-10-9-11(4-5-13(10)17)15-12(3-2-7-19-15)14-6-8-20-16(18)21-14/h1-11,18H;1-10H;1-9H;1-10H;1-11H;2-9H,1H3,(H2,18,20,21)
InChIKeyQRWNSPJJNKZWQI-UHFFFAOYSA-N
XLogP24.81
TPSA289.32 Ų
H-Bond Donors1
H-Bond Acceptors25
Rotatable Bonds14
Heavy Atoms138
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001934.06
LogP ≤ 524.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1025

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-(5-chloro-2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(2,5-dichlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-[3-(difluoromethoxy)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrimidin-2-amine 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-(5-chloro-2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(2,5-dichlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-[3-(difluoromethoxy)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 5-[2-(5-chloro-2,4-difluorophenyl)-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;5-[2-(2,5-dichlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-[3-(difluoromethoxy)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrimidin-2-amine (CID 160501810) is 5-[2-(5-chloro-2,4-difluorophenyl)-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;5-[2-(2,5-dichlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-[3-(difluoromethoxy)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[2-(5-chloro-2,4-difluorophenyl)-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;5-[2-(2,5-dichlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-[3-(difluoromethoxy)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 5-[2-(5-chloro-2,4-difluorophenyl)-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;5-[2-(2,5-dichlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-[3-(difluoromethoxy)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrimidin-2-amine is Cc1cc(-c2ncccc2-c2ccnc(N)n2)ccc1F.Clc1ccc(Cl)c(-c2ncccc2-c2ccn3nccc3n2)c1.Clc1cccc(-c2ncccc2-c2ccn3nccc3n2)c1.FC(F)Oc1cccc(-c2ncccc2-c2ccn3nccc3n2)c1.Fc1cc(F)c(-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-(5-chloro-2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(2,5-dichlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-[3-(difluoromethoxy)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrimidin-2-amine?
The InChIKey is QRWNSPJJNKZWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N4O.C17H10Cl2N4.C17H9ClF2N4.C17H10ClFN4.C17H11ClN4.C16H13FN4/c19-18(20)25-13-4-1-3-12(11-13)17-14(5-2-8-21-17)15-7-10-24-16(23-15)6-9-22-24;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;18-12-8-11(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;18-13-4-1-3-12(11-13)17-14(5-2-8-19-17)15-7-10-22-16(21-15)6-9-20-22;1-10-9-11(4-5-13(10)17)15-12(3-2-7-19-15)14-6-8-20-16(18)21-14/h1-11,18H;1-10H;1-9H;1-10H;1-11H;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-(5-chloro-2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(2,5-dichlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-[3-(difluoromethoxy)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrimidin-2-amine?
5-[2-(5-chloro-2,4-difluorophenyl)-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;5-[2-(2,5-dichlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-[3-(difluoromethoxy)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrimidin-2-amine has a molecular weight of 1934.06 g/mol, XLogP of 24.81, 14 rotatable bonds, 1 hydrogen bond donors, and 25 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-(5-chloro-2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(2,5-dichlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-[3-(difluoromethoxy)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 160501810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).