N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide;N-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-methyl-6-oxo-1H-pyrimidine-5-sulfonamide;2-[5-(1,2-oxazol-3-yl)-1-[(2,3,6-trifluorophenyl)methyl]pyrazol-3-yl]pyrimidin-4-amine

C65H51F6N19O7S — CID 159598352

About N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide;N-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-methyl-6-oxo-1H-pyrimidine-5-sulfonamide;2-[5-(1,2-oxazol-3-yl)-1-[(2,3,6-trifluorophenyl)methyl]pyrazol-3-yl]pyrimidin-4-amine

N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide;N-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-methyl-6-oxo-1H-pyrimidine-5-sulfonamide;2-[5-(1,2-oxazol-3-yl)-1-[(2,3,6-trifluorophenyl)methyl]pyrazol-3-yl]pyrimidin-4-amine (PubChem CID 159598352) has the molecular formula C65H51F6N19O7S and a molecular weight of 1356.30 g/mol. Its IUPAC name is N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide;N-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-methyl-6-oxo-1H-pyrimidine-5-sulfonamide;2-[5-(1,2-oxazol-3-yl)-1-[(2,3,6-trifluorophenyl)methyl]pyrazol-3-yl]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide;N-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-methyl-6-oxo-1H-pyrimidine-5-sulfonamide;2-[5-(1,2-oxazol-3-yl)-1-[(2,3,6-trifluorophenyl)methyl]pyrazol-3-yl]pyrimidin-4-amine
• PubChem CID: 159598352
• Molecular Formula: C65H51F6N19O7S
• Molecular Weight: 1356.30 g/mol
• Exact Mass: 1355.38
• IUPAC Name: N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide;N-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-methyl-6-oxo-1H-pyrimidine-5-sulfonamide;2-[5-(1,2-oxazol-3-yl)-1-[(2,3,6-trifluorophenyl)methyl]pyrazol-3-yl]pyrimidin-4-amine
• SMILES: CN(C1CC1)S(=O)(=O)c1cnc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)[nH]c1=O.Nc1ccnc(-c2cc(-c3ccon3)n(Cc3c(F)ccc(F)c3F)n2)n1.Nc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1NC(=O)C1(c2ccc(F)cc2)CC1
• InChI: InChI=1S/C27H21F2N7O2.C21H19FN6O4S.C17H11F3N6O/c28-18-7-5-17(6-8-18)27(10-11-27)26(37)32-22-14-31-25(33-24(22)30)21-13-23(20-9-12-38-35-20)36(34-21)15-16-3-1-2-4-19(16)29;1-27(14-6-7-14)33(30,31)19-11-23-20(24-21(19)29)17-10-18(16-8-9-32-26-16)28(25-17)12-13-4-2-3-5-15(13)22;18-10-1-2-11(19)16(20)9(10)8-26-14(12-4-6-27-25-12)7-13(24-26)17-22-5-3-15(21)23-17/h1-9,12-14H,10-11,15H2,(H,32,37)(H2,30,31,33);2-5,8-11,14H,6-7,12H2,1H3,(H,23,24,29);1-7H,8H2,(H2,21,22,23)
• InChIKey: MLDHPUFGRULQBO-UHFFFAOYSA-N
• XLogP: 9.88
• TPSA: 347.38 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 18
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1356.30
LogP ≤ 5	9.88
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide;N-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-methyl-6-oxo-1H-pyrimidine-5-sulfonamide;2-[5-(1,2-oxazol-3-yl)-1-[(2,3,6-trifluorophenyl)methyl]pyrazol-3-yl]pyrimidin-4-amine?

The IUPAC name of N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide;N-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-methyl-6-oxo-1H-pyrimidine-5-sulfonamide;2-[5-(1,2-oxazol-3-yl)-1-[(2,3,6-trifluorophenyl)methyl]pyrazol-3-yl]pyrimidin-4-amine (CID 159598352) is N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide;N-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-methyl-6-oxo-1H-pyrimidine-5-sulfonamide;2-[5-(1,2-oxazol-3-yl)-1-[(2,3,6-trifluorophenyl)methyl]pyrazol-3-yl]pyrimidin-4-amine.

What is the SMILES notation for N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide;N-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-methyl-6-oxo-1H-pyrimidine-5-sulfonamide;2-[5-(1,2-oxazol-3-yl)-1-[(2,3,6-trifluorophenyl)methyl]pyrazol-3-yl]pyrimidin-4-amine?

The canonical SMILES for N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide;N-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-methyl-6-oxo-1H-pyrimidine-5-sulfonamide;2-[5-(1,2-oxazol-3-yl)-1-[(2,3,6-trifluorophenyl)methyl]pyrazol-3-yl]pyrimidin-4-amine is CN(C1CC1)S(=O)(=O)c1cnc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)[nH]c1=O.Nc1ccnc(-c2cc(-c3ccon3)n(Cc3c(F)ccc(F)c3F)n2)n1.Nc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1NC(=O)C1(c2ccc(F)cc2)CC1.

What is the InChIKey of N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide;N-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-methyl-6-oxo-1H-pyrimidine-5-sulfonamide;2-[5-(1,2-oxazol-3-yl)-1-[(2,3,6-trifluorophenyl)methyl]pyrazol-3-yl]pyrimidin-4-amine?

The InChIKey is MLDHPUFGRULQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F2N7O2.C21H19FN6O4S.C17H11F3N6O/c28-18-7-5-17(6-8-18)27(10-11-27)26(37)32-22-14-31-25(33-24(22)30)21-13-23(20-9-12-38-35-20)36(34-21)15-16-3-1-2-4-19(16)29;1-27(14-6-7-14)33(30,31)19-11-23-20(24-21(19)29)17-10-18(16-8-9-32-26-16)28(25-17)12-13-4-2-3-5-15(13)22;18-10-1-2-11(19)16(20)9(10)8-26-14(12-4-6-27-25-12)7-13(24-26)17-22-5-3-15(21)23-17/h1-9,12-14H,10-11,15H2,(H,32,37)(H2,30,31,33);2-5,8-11,14H,6-7,12H2,1H3,(H,23,24,29);1-7H,8H2,(H2,21,22,23).

What are the key properties of N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide;N-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-methyl-6-oxo-1H-pyrimidine-5-sulfonamide;2-[5-(1,2-oxazol-3-yl)-1-[(2,3,6-trifluorophenyl)methyl]pyrazol-3-yl]pyrimidin-4-amine?

N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide;N-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-methyl-6-oxo-1H-pyrimidine-5-sulfonamide;2-[5-(1,2-oxazol-3-yl)-1-[(2,3,6-trifluorophenyl)methyl]pyrazol-3-yl]pyrimidin-4-amine has a molecular weight of 1356.30 g/mol, XLogP of 9.88, 18 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide;N-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-methyl-6-oxo-1H-pyrimidine-5-sulfonamide;2-[5-(1,2-oxazol-3-yl)-1-[(2,3,6-trifluorophenyl)methyl]pyrazol-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 159598352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).