6-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)pyridazin-3-amine;5-[4-[1-[5-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[3-fluoro-4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;3-methyl-5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine — IUPAC name, SMILES, InChIKey & properties

Name: 6-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)pyridazin-3-amine;5-[4-[1-[5-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[3-fluoro-4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;3-methyl-5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 6-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)pyridazin-3-amine;5-[4-[1-[5-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[3-fluoro-4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;3-methyl-5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine

6-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)pyridazin-3-amine;5-[4-[1-[5-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[3-fluoro-4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;3-methyl-5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine (PubChem CID 159954646) has the molecular formula C87H86FN29O7S and a molecular weight of 1700.91 g/mol. Its IUPAC name is 6-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)pyridazin-3-amine;5-[4-[1-[5-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[3-fluoro-4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;3-methyl-5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name	6-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)pyridazin-3-amine;5-[4-[1-[5-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[3-fluoro-4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;3-methyl-5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine
PubChem CID	159954646
Molecular Formula	C87H86FN29O7S
Molecular Weight	1700.91 g/mol
Exact Mass	1699.70
IUPAC Name	6-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)pyridazin-3-amine;5-[4-[1-[5-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[3-fluoro-4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;3-methyl-5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine
SMILES	COCCNc1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)nn1.Cc1nc(-c2ccc(C3(c4noc(-c5cnn(C)c5)n4)CCC3)cc2)cnc1N.Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4F)CCC3)no2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cnn(C6CCS(=O)(=O)C6)c5)n4)CCC3)cc2)cn1
InChI	InChI=1S/C23H24N8O2.C23H23N7O3S.C21H21N7O.C20H18FN7O/c1-32-12-11-25-19-8-7-18(29-30-19)20-28-21(31-33-20)23(9-2-10-23)17-5-3-15(4-6-17)16-13-26-22(24)27-14-16;24-22-25-10-16(11-26-22)15-2-4-18(5-3-15)23(7-1-8-23)21-28-20(33-29-21)17-12-27-30(13-17)19-6-9-34(31,32)14-19;1-13-18(22)23-11-17(25-13)14-4-6-16(7-5-14)21(8-3-9-21)20-26-19(29-27-20)15-10-24-28(2)12-15;1-28-11-14(10-25-28)17-26-18(27-29-17)20(5-2-6-20)15-4-3-12(7-16(15)21)13-8-23-19(22)24-9-13/h3-8,13-14H,2,9-12H2,1H3,(H,25,30)(H2,24,26,27);2-5,10-13,19H,1,6-9,14H2,(H2,24,25,26);4-7,10-12H,3,8-9H2,1-2H3,(H2,22,23);3-4,7-11H,2,5-6H2,1H3,(H2,22,23,24)
InChIKey	OCOCRSBKZAZJPH-UHFFFAOYSA-N
XLogP	12.30
TPSA	497.52 Å²
H-Bond Donors	5
H-Bond Acceptors	36
Rotatable Bonds	21
Heavy Atoms	125
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1700.91
LogP ≤ 5	12.30
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Analyze 6-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)pyridazin-3-amine;5-[4-[1-[5-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[3-fluoro-4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;3-methyl-5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)pyridazin-3-amine;5-[4-[1-[5-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[3-fluoro-4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;3-methyl-5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine?

The IUPAC name of 6-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)pyridazin-3-amine;5-[4-[1-[5-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[3-fluoro-4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;3-methyl-5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine (CID 159954646) is 6-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)pyridazin-3-amine;5-[4-[1-[5-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[3-fluoro-4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;3-methyl-5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine.

What is the SMILES notation for 6-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)pyridazin-3-amine;5-[4-[1-[5-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[3-fluoro-4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;3-methyl-5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine?

The canonical SMILES for 6-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)pyridazin-3-amine;5-[4-[1-[5-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[3-fluoro-4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;3-methyl-5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine is COCCNc1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)nn1.Cc1nc(-c2ccc(C3(c4noc(-c5cnn(C)c5)n4)CCC3)cc2)cnc1N.Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4F)CCC3)no2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cnn(C6CCS(=O)(=O)C6)c5)n4)CCC3)cc2)cn1.

What is the InChIKey of 6-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)pyridazin-3-amine;5-[4-[1-[5-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[3-fluoro-4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;3-methyl-5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine?

The InChIKey is OCOCRSBKZAZJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O2.C23H23N7O3S.C21H21N7O.C20H18FN7O/c1-32-12-11-25-19-8-7-18(29-30-19)20-28-21(31-33-20)23(9-2-10-23)17-5-3-15(4-6-17)16-13-26-22(24)27-14-16;24-22-25-10-16(11-26-22)15-2-4-18(5-3-15)23(7-1-8-23)21-28-20(33-29-21)17-12-27-30(13-17)19-6-9-34(31,32)14-19;1-13-18(22)23-11-17(25-13)14-4-6-16(7-5-14)21(8-3-9-21)20-26-19(29-27-20)15-10-24-28(2)12-15;1-28-11-14(10-25-28)17-26-18(27-29-17)20(5-2-6-20)15-4-3-12(7-16(15)21)13-8-23-19(22)24-9-13/h3-8,13-14H,2,9-12H2,1H3,(H,25,30)(H2,24,26,27);2-5,10-13,19H,1,6-9,14H2,(H2,24,25,26);4-7,10-12H,3,8-9H2,1-2H3,(H2,22,23);3-4,7-11H,2,5-6H2,1H3,(H2,22,23,24).

What are the key properties of 6-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)pyridazin-3-amine;5-[4-[1-[5-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[3-fluoro-4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;3-methyl-5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine?

Where does this data come from?

All data for 6-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)pyridazin-3-amine;5-[4-[1-[5-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[3-fluoro-4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;3-methyl-5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine is sourced from PubChem (CID 159954646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).