N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-ethylcyclopropane-1-carboxamide;2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one;5-fluoro-2-[4-fluoro-1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one

C57H42F7N17O6 — CID 160705419

About N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-ethylcyclopropane-1-carboxamide;2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one;5-fluoro-2-[4-fluoro-1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one

N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-ethylcyclopropane-1-carboxamide;2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one;5-fluoro-2-[4-fluoro-1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one (PubChem CID 160705419) has the molecular formula C57H42F7N17O6 and a molecular weight of 1194.06 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-ethylcyclopropane-1-carboxamide;2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one;5-fluoro-2-[4-fluoro-1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one.

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-ethylcyclopropane-1-carboxamide;2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one;5-fluoro-2-[4-fluoro-1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one
• PubChem CID: 160705419
• Molecular Formula: C57H42F7N17O6
• Molecular Weight: 1194.06 g/mol
• Exact Mass: 1193.34
• IUPAC Name: N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-ethylcyclopropane-1-carboxamide;2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one;5-fluoro-2-[4-fluoro-1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one
• SMILES: CCC1(C(=O)Nc2cnc(-c3cc(-c4ccon4)n(Cc4ccccc4F)n3)nc2N)CC1.O=c1[nH]c(-c2cc(-c3ccon3)n(Cc3cccc(F)c3F)n2)ncc1F.O=c1[nH]c(-c2nn(Cc3ccccc3F)c(-c3ccon3)c2F)ncc1F
• InChI: InChI=1S/C23H22FN7O2.2C17H10F3N5O2/c1-2-23(8-9-23)22(32)27-18-12-26-21(28-20(18)25)17-11-19(16-7-10-33-30-16)31(29-17)13-14-5-3-4-6-15(14)24;18-10-3-1-2-9(15(10)20)8-25-14(12-4-5-27-24-12)6-13(23-25)16-21-7-11(19)17(26)22-16;18-10-4-2-1-3-9(10)8-25-15(12-5-6-27-24-12)13(20)14(23-25)16-21-7-11(19)17(26)22-16/h3-7,10-12H,2,8-9,13H2,1H3,(H,27,32)(H2,25,26,28);2*1-7H,8H2,(H,21,22,26)
• InChIKey: RRDUISZLROPWCZ-UHFFFAOYSA-N
• XLogP: 9.40
• TPSA: 303.95 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 15
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1194.06
LogP ≤ 5	9.40
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

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-ethylcyclopropane-1-carboxamide;2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one;5-fluoro-2-[4-fluoro-1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one?

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-ethylcyclopropane-1-carboxamide;2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one;5-fluoro-2-[4-fluoro-1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one (CID 160705419) is N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-ethylcyclopropane-1-carboxamide;2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one;5-fluoro-2-[4-fluoro-1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one.

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-ethylcyclopropane-1-carboxamide;2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one;5-fluoro-2-[4-fluoro-1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one?

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-ethylcyclopropane-1-carboxamide;2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one;5-fluoro-2-[4-fluoro-1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one is CCC1(C(=O)Nc2cnc(-c3cc(-c4ccon4)n(Cc4ccccc4F)n3)nc2N)CC1.O=c1[nH]c(-c2cc(-c3ccon3)n(Cc3cccc(F)c3F)n2)ncc1F.O=c1[nH]c(-c2nn(Cc3ccccc3F)c(-c3ccon3)c2F)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-ethylcyclopropane-1-carboxamide;2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one;5-fluoro-2-[4-fluoro-1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one?

The InChIKey is RRDUISZLROPWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN7O2.2C17H10F3N5O2/c1-2-23(8-9-23)22(32)27-18-12-26-21(28-20(18)25)17-11-19(16-7-10-33-30-16)31(29-17)13-14-5-3-4-6-15(14)24;18-10-3-1-2-9(15(10)20)8-25-14(12-4-5-27-24-12)6-13(23-25)16-21-7-11(19)17(26)22-16;18-10-4-2-1-3-9(10)8-25-15(12-5-6-27-24-12)13(20)14(23-25)16-21-7-11(19)17(26)22-16/h3-7,10-12H,2,8-9,13H2,1H3,(H,27,32)(H2,25,26,28);2*1-7H,8H2,(H,21,22,26).

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-ethylcyclopropane-1-carboxamide;2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one;5-fluoro-2-[4-fluoro-1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one?

N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-ethylcyclopropane-1-carboxamide;2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one;5-fluoro-2-[4-fluoro-1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one has a molecular weight of 1194.06 g/mol, XLogP of 9.40, 15 rotatable bonds, 4 hydrogen bond donors, and 20 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-ethylcyclopropane-1-carboxamide;2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one;5-fluoro-2-[4-fluoro-1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 160705419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).