N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-phenylcyclopropane-1-carboxamide;5-fluoro-2-[1-[(3-fluoro-4-pyridinyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-methyl-6-oxo-N-phenyl-1H-pyrimidine-5-sulfonamide

C67H51F4N19O8S — CID 159406464

About N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-phenylcyclopropane-1-carboxamide;5-fluoro-2-[1-[(3-fluoro-4-pyridinyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-methyl-6-oxo-N-phenyl-1H-pyrimidine-5-sulfonamide

N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-phenylcyclopropane-1-carboxamide;5-fluoro-2-[1-[(3-fluoro-4-pyridinyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-methyl-6-oxo-N-phenyl-1H-pyrimidine-5-sulfonamide (PubChem CID 159406464) has the molecular formula C67H51F4N19O8S and a molecular weight of 1358.33 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-phenylcyclopropane-1-carboxamide;5-fluoro-2-[1-[(3-fluoro-4-pyridinyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-methyl-6-oxo-N-phenyl-1H-pyrimidine-5-sulfonamide.

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-phenylcyclopropane-1-carboxamide;5-fluoro-2-[1-[(3-fluoro-4-pyridinyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-methyl-6-oxo-N-phenyl-1H-pyrimidine-5-sulfonamide
• PubChem CID: 159406464
• Molecular Formula: C67H51F4N19O8S
• Molecular Weight: 1358.33 g/mol
• Exact Mass: 1357.38
• IUPAC Name: N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-phenylcyclopropane-1-carboxamide;5-fluoro-2-[1-[(3-fluoro-4-pyridinyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-methyl-6-oxo-N-phenyl-1H-pyrimidine-5-sulfonamide
• SMILES: CN(c1ccccc1)S(=O)(=O)c1cnc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)[nH]c1=O.Nc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1NC(=O)C1(c2ccccc2)CC1.O=c1[nH]c(-c2cc(-c3ccon3)n(Cc3ccncc3F)n2)ncc1F
• InChI: InChI=1S/C27H22FN7O2.C24H19FN6O4S.C16H10F2N6O2/c28-19-9-5-4-6-17(19)16-35-23(20-10-13-37-34-20)14-21(33-35)25-30-15-22(24(29)32-25)31-26(36)27(11-12-27)18-7-2-1-3-8-18;1-30(17-8-3-2-4-9-17)36(33,34)22-14-26-23(27-24(22)32)20-13-21(19-11-12-35-29-19)31(28-20)15-16-7-5-6-10-18(16)25;17-10-6-19-3-1-9(10)8-24-14(12-2-4-26-23-12)5-13(22-24)15-20-7-11(18)16(25)21-15/h1-10,13-15H,11-12,16H2,(H,31,36)(H2,29,30,32);2-14H,15H2,1H3,(H,26,27,32);1-7H,8H2,(H,20,21,25)
• InChIKey: LOABMGHGFKAUMY-UHFFFAOYSA-N
• XLogP: 9.75
• TPSA: 354.22 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 18
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1358.33
LogP ≤ 5	9.75
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

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-phenylcyclopropane-1-carboxamide;5-fluoro-2-[1-[(3-fluoro-4-pyridinyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-methyl-6-oxo-N-phenyl-1H-pyrimidine-5-sulfonamide?

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-phenylcyclopropane-1-carboxamide;5-fluoro-2-[1-[(3-fluoro-4-pyridinyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-methyl-6-oxo-N-phenyl-1H-pyrimidine-5-sulfonamide (CID 159406464) is N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-phenylcyclopropane-1-carboxamide;5-fluoro-2-[1-[(3-fluoro-4-pyridinyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-methyl-6-oxo-N-phenyl-1H-pyrimidine-5-sulfonamide.

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-phenylcyclopropane-1-carboxamide;5-fluoro-2-[1-[(3-fluoro-4-pyridinyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-methyl-6-oxo-N-phenyl-1H-pyrimidine-5-sulfonamide?

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-phenylcyclopropane-1-carboxamide;5-fluoro-2-[1-[(3-fluoro-4-pyridinyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-methyl-6-oxo-N-phenyl-1H-pyrimidine-5-sulfonamide is CN(c1ccccc1)S(=O)(=O)c1cnc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)[nH]c1=O.Nc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1NC(=O)C1(c2ccccc2)CC1.O=c1[nH]c(-c2cc(-c3ccon3)n(Cc3ccncc3F)n2)ncc1F.

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-phenylcyclopropane-1-carboxamide;5-fluoro-2-[1-[(3-fluoro-4-pyridinyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-methyl-6-oxo-N-phenyl-1H-pyrimidine-5-sulfonamide?

The InChIKey is LOABMGHGFKAUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FN7O2.C24H19FN6O4S.C16H10F2N6O2/c28-19-9-5-4-6-17(19)16-35-23(20-10-13-37-34-20)14-21(33-35)25-30-15-22(24(29)32-25)31-26(36)27(11-12-27)18-7-2-1-3-8-18;1-30(17-8-3-2-4-9-17)36(33,34)22-14-26-23(27-24(22)32)20-13-21(19-11-12-35-29-19)31(28-20)15-16-7-5-6-10-18(16)25;17-10-6-19-3-1-9(10)8-24-14(12-2-4-26-23-12)5-13(22-24)15-20-7-11(18)16(25)21-15/h1-10,13-15H,11-12,16H2,(H,31,36)(H2,29,30,32);2-14H,15H2,1H3,(H,26,27,32);1-7H,8H2,(H,20,21,25).

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-phenylcyclopropane-1-carboxamide;5-fluoro-2-[1-[(3-fluoro-4-pyridinyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-methyl-6-oxo-N-phenyl-1H-pyrimidine-5-sulfonamide?

N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-phenylcyclopropane-1-carboxamide;5-fluoro-2-[1-[(3-fluoro-4-pyridinyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-methyl-6-oxo-N-phenyl-1H-pyrimidine-5-sulfonamide has a molecular weight of 1358.33 g/mol, XLogP of 9.75, 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-phenylcyclopropane-1-carboxamide;5-fluoro-2-[1-[(3-fluoro-4-pyridinyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-methyl-6-oxo-N-phenyl-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 159406464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).