[1-[4-[(4,4-difluorocyclohexyl)amino]-6-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]pyrazole-3-carboxylate

C70H80F10N28O7 — CID 160685320

About [1-[4-[(4,4-difluorocyclohexyl)amino]-6-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]pyrazole-3-carboxylate

[1-[4-[(4,4-difluorocyclohexyl)amino]-6-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]pyrazole-3-carboxylate (PubChem CID 160685320) has the molecular formula C70H80F10N28O7 and a molecular weight of 1615.58 g/mol. Its IUPAC name is [1-[4-[(4,4-difluorocyclohexyl)amino]-6-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]pyrazole-3-carboxylate.

Molecular Properties

• Compound Name: [1-[4-[(4,4-difluorocyclohexyl)amino]-6-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]pyrazole-3-carboxylate
• PubChem CID: 160685320
• Molecular Formula: C70H80F10N28O7
• Molecular Weight: 1615.58 g/mol
• Exact Mass: 1614.66
• IUPAC Name: [1-[4-[(4,4-difluorocyclohexyl)amino]-6-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]pyrazole-3-carboxylate
• SMILES: CC1N=C(c2cc(NC3CCC(F)(F)CC3)nc(-n3ccc(CF)n3)n2)NO1.CC1N=C(c2cc(NC3CCC(F)(F)CC3)nc(-n3ccc(CO)n3)n2)NO1.CCOC(=O)c1ccn(-c2nc(NC3CCC(F)(F)CC3)cc(-c3noc(C)n3)n2)n1.Cc1nc(-c2cc(NC3CCC(F)(F)CC3)nc(-n3ccc(CF)n3)n2)no1
• InChI: InChI=1S/C19H21F2N7O3.C17H20F3N7O.C17H18F3N7O.C17H21F2N7O2/c1-3-30-17(29)13-6-9-28(26-13)18-24-14(16-22-11(2)31-27-16)10-15(25-18)23-12-4-7-19(20,21)8-5-12;2*1-10-21-15(26-28-10)13-8-14(22-11-2-5-17(19,20)6-3-11)24-16(23-13)27-7-4-12(9-18)25-27;1-10-20-15(25-28-10)13-8-14(21-11-2-5-17(18,19)6-3-11)23-16(22-13)26-7-4-12(9-27)24-26/h6,9-10,12H,3-5,7-8H2,1-2H3,(H,23,24,25);4,7-8,10-11H,2-3,5-6,9H2,1H3,(H,21,26)(H,22,23,24);4,7-8,11H,2-3,5-6,9H2,1H3,(H,22,23,24);4,7-8,10-11,27H,2-3,5-6,9H2,1H3,(H,20,25)(H,21,22,23)
• InChIKey: RORLMSPTHNHLPA-UHFFFAOYSA-N
• XLogP: 11.19
• TPSA: 414.13 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 35
• Rotatable Bonds: 21
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1615.58
LogP ≤ 5	11.19
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of [1-[4-[(4,4-difluorocyclohexyl)amino]-6-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]pyrazole-3-carboxylate?

The IUPAC name of [1-[4-[(4,4-difluorocyclohexyl)amino]-6-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]pyrazole-3-carboxylate (CID 160685320) is [1-[4-[(4,4-difluorocyclohexyl)amino]-6-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]pyrazole-3-carboxylate.

What is the SMILES notation for [1-[4-[(4,4-difluorocyclohexyl)amino]-6-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]pyrazole-3-carboxylate?

The canonical SMILES for [1-[4-[(4,4-difluorocyclohexyl)amino]-6-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]pyrazole-3-carboxylate is CC1N=C(c2cc(NC3CCC(F)(F)CC3)nc(-n3ccc(CF)n3)n2)NO1.CC1N=C(c2cc(NC3CCC(F)(F)CC3)nc(-n3ccc(CO)n3)n2)NO1.CCOC(=O)c1ccn(-c2nc(NC3CCC(F)(F)CC3)cc(-c3noc(C)n3)n2)n1.Cc1nc(-c2cc(NC3CCC(F)(F)CC3)nc(-n3ccc(CF)n3)n2)no1.

What is the InChIKey of [1-[4-[(4,4-difluorocyclohexyl)amino]-6-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]pyrazole-3-carboxylate?

The InChIKey is RORLMSPTHNHLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N7O3.C17H20F3N7O.C17H18F3N7O.C17H21F2N7O2/c1-3-30-17(29)13-6-9-28(26-13)18-24-14(16-22-11(2)31-27-16)10-15(25-18)23-12-4-7-19(20,21)8-5-12;2*1-10-21-15(26-28-10)13-8-14(22-11-2-5-17(19,20)6-3-11)24-16(23-13)27-7-4-12(9-18)25-27;1-10-20-15(25-28-10)13-8-14(21-11-2-5-17(18,19)6-3-11)23-16(22-13)26-7-4-12(9-27)24-26/h6,9-10,12H,3-5,7-8H2,1-2H3,(H,23,24,25);4,7-8,10-11H,2-3,5-6,9H2,1H3,(H,21,26)(H,22,23,24);4,7-8,11H,2-3,5-6,9H2,1H3,(H,22,23,24);4,7-8,10-11,27H,2-3,5-6,9H2,1H3,(H,20,25)(H,21,22,23).

What are the key properties of [1-[4-[(4,4-difluorocyclohexyl)amino]-6-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]pyrazole-3-carboxylate?

[1-[4-[(4,4-difluorocyclohexyl)amino]-6-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]pyrazole-3-carboxylate has a molecular weight of 1615.58 g/mol, XLogP of 11.19, 21 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[4-[(4,4-difluorocyclohexyl)amino]-6-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]pyrazole-3-carboxylate is sourced from PubChem (CID 160685320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).