2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-phenylsulfanyl-1H-pyrimidin-6-one

C60H41F4N17O6S — CID 162163896

About 2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-phenylsulfanyl-1H-pyrimidin-6-one

2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-phenylsulfanyl-1H-pyrimidin-6-one (PubChem CID 162163896) has the molecular formula C60H41F4N17O6S and a molecular weight of 1204.16 g/mol. Its IUPAC name is 2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-phenylsulfanyl-1H-pyrimidin-6-one.

Molecular Properties

• Compound Name: 2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-phenylsulfanyl-1H-pyrimidin-6-one
• PubChem CID: 162163896
• Molecular Formula: C60H41F4N17O6S
• Molecular Weight: 1204.16 g/mol
• Exact Mass: 1203.31
• IUPAC Name: 2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-phenylsulfanyl-1H-pyrimidin-6-one
• SMILES: Nc1ccnc(-c2cc(-c3ccon3)n(Cc3cccc(F)c3F)n2)n1.O=c1[nH]c(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1-c1ncco1.O=c1[nH]c(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1Sc1ccccc1
• InChI: InChI=1S/C23H16FN5O2S.C20H13FN6O3.C17H12F2N6O/c24-17-9-5-4-6-15(17)14-29-20(18-10-11-31-28-18)12-19(27-29)22-25-13-21(23(30)26-22)32-16-7-2-1-3-8-16;21-14-4-2-1-3-12(14)11-27-17(15-5-7-30-26-15)9-16(25-27)18-23-10-13(19(28)24-18)20-22-6-8-29-20;18-11-3-1-2-10(16(11)19)9-25-14(12-5-7-26-24-12)8-13(23-25)17-21-6-4-15(20)22-17/h1-13H,14H2,(H,25,26,30);1-10H,11H2,(H,23,24,28);1-8H,9H2,(H2,20,21,22)
• InChIKey: ZMWAPZLCBHGENM-UHFFFAOYSA-N
• XLogP: 10.66
• TPSA: 300.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 15
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1204.16
LogP ≤ 5	10.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-phenylsulfanyl-1H-pyrimidin-6-one?

The IUPAC name of 2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-phenylsulfanyl-1H-pyrimidin-6-one (CID 162163896) is 2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-phenylsulfanyl-1H-pyrimidin-6-one.

What is the SMILES notation for 2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-phenylsulfanyl-1H-pyrimidin-6-one?

The canonical SMILES for 2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-phenylsulfanyl-1H-pyrimidin-6-one is Nc1ccnc(-c2cc(-c3ccon3)n(Cc3cccc(F)c3F)n2)n1.O=c1[nH]c(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1-c1ncco1.O=c1[nH]c(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1Sc1ccccc1.

What is the InChIKey of 2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-phenylsulfanyl-1H-pyrimidin-6-one?

The InChIKey is ZMWAPZLCBHGENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN5O2S.C20H13FN6O3.C17H12F2N6O/c24-17-9-5-4-6-15(17)14-29-20(18-10-11-31-28-18)12-19(27-29)22-25-13-21(23(30)26-22)32-16-7-2-1-3-8-16;21-14-4-2-1-3-12(14)11-27-17(15-5-7-30-26-15)9-16(25-27)18-23-10-13(19(28)24-18)20-22-6-8-29-20;18-11-3-1-2-10(16(11)19)9-25-14(12-5-7-26-24-12)8-13(23-25)17-21-6-4-15(20)22-17/h1-13H,14H2,(H,25,26,30);1-10H,11H2,(H,23,24,28);1-8H,9H2,(H2,20,21,22).

What are the key properties of 2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-phenylsulfanyl-1H-pyrimidin-6-one?

2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-phenylsulfanyl-1H-pyrimidin-6-one has a molecular weight of 1204.16 g/mol, XLogP of 10.66, 15 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-phenylsulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 162163896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).