5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine;3-methyl-N-[5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine

C₉₈H₁₁₁N₄₁OS₄ — CID 158081547

About 5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine;3-methyl-N-[5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine

5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine;3-methyl-N-[5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 158081547) has the molecular formula C₉₈H₁₁₁N₄₁OS₄ and a molecular weight of 2007.52 g/mol. Its IUPAC name is 5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine;3-methyl-N-[5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine;3-methyl-N-[5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 158081547
• Molecular Formula: C₉₈H₁₁₁N₄₁OS₄
• Molecular Weight: 2007.52 g/mol
• Exact Mass: 2005.88
• IUPAC Name: 5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine;3-methyl-N-[5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: Cc1cc(Nc2cc(C3CCCNC3)nc3c(-c4cncs4)cnn23)sn1.Cc1cc(Nc2cc(C3CCCNC3)nc3c(-c4cnn(C)c4)cnn23)no1.Cc1csc(Nc2cc(C3CCCNC3)nc3c(-c4cnn(C)c4)cnn23)c1.Cn1cc(-c2cnn3c(Nc4ccc(C5=NCCCN5)cn4)cc(C4CCCNC4)nc23)cn1.Cn1cc(-c2cnn3c(Nc4nncs4)cc(C4CCCNC4)nc23)cn1
• InChI: InChI=1S/C24H28N10.C20H23N7S.C19H22N8O.C18H19N7S2.C17H19N9S/c1-33-15-18(13-29-33)19-14-30-34-22(10-20(31-24(19)34)16-4-2-7-25-11-16)32-21-6-5-17(12-28-21)23-26-8-3-9-27-23;1-13-6-19(28-12-13)25-18-7-17(14-4-3-5-21-8-14)24-20-16(10-23-27(18)20)15-9-22-26(2)11-15;1-12-6-17(25-28-12)24-18-7-16(13-4-3-5-20-8-13)23-19-15(10-22-27(18)19)14-9-21-26(2)11-14;1-11-5-17(27-24-11)23-16-6-14(12-3-2-4-19-7-12)22-18-13(8-21-25(16)18)15-9-20-10-26-15;1-25-9-12(7-20-25)13-8-21-26-15(23-17-24-19-10-27-17)5-14(22-16(13)26)11-3-2-4-18-6-11/h5-6,10,12-16,25H,2-4,7-9,11H2,1H3,(H,26,27)(H,28,32);6-7,9-12,14,21,25H,3-5,8H2,1-2H3;6-7,9-11,13,20H,3-5,8H2,1-2H3,(H,24,25);5-6,8-10,12,19,23H,2-4,7H2,1H3;5,7-11,18H,2-4,6H2,1H3,(H,23,24)
• InChIKey: FMZZTFBXCHEWHS-UHFFFAOYSA-N
• XLogP: 14.84
• TPSA: 457.40 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 46
• Rotatable Bonds: 21
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2007.52
LogP ≤ 5	14.84
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	46

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine;3-methyl-N-[5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine;3-methyl-N-[5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 158081547) is 5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine;3-methyl-N-[5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine;3-methyl-N-[5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine;3-methyl-N-[5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(Nc2cc(C3CCCNC3)nc3c(-c4cncs4)cnn23)sn1.Cc1cc(Nc2cc(C3CCCNC3)nc3c(-c4cnn(C)c4)cnn23)no1.Cc1csc(Nc2cc(C3CCCNC3)nc3c(-c4cnn(C)c4)cnn23)c1.Cn1cc(-c2cnn3c(Nc4ccc(C5=NCCCN5)cn4)cc(C4CCCNC4)nc23)cn1.Cn1cc(-c2cnn3c(Nc4nncs4)cc(C4CCCNC4)nc23)cn1.

What is the InChIKey of 5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine;3-methyl-N-[5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is FMZZTFBXCHEWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N10.C20H23N7S.C19H22N8O.C18H19N7S2.C17H19N9S/c1-33-15-18(13-29-33)19-14-30-34-22(10-20(31-24(19)34)16-4-2-7-25-11-16)32-21-6-5-17(12-28-21)23-26-8-3-9-27-23;1-13-6-19(28-12-13)25-18-7-17(14-4-3-5-21-8-14)24-20-16(10-23-27(18)20)15-9-22-26(2)11-15;1-12-6-17(25-28-12)24-18-7-16(13-4-3-5-20-8-13)23-19-15(10-22-27(18)19)14-9-21-26(2)11-14;1-11-5-17(27-24-11)23-16-6-14(12-3-2-4-19-7-12)22-18-13(8-21-25(16)18)15-9-20-10-26-15;1-25-9-12(7-20-25)13-8-21-26-15(23-17-24-19-10-27-17)5-14(22-16(13)26)11-3-2-4-18-6-11/h5-6,10,12-16,25H,2-4,7-9,11H2,1H3,(H,26,27)(H,28,32);6-7,9-12,14,21,25H,3-5,8H2,1-2H3;6-7,9-11,13,20H,3-5,8H2,1-2H3,(H,24,25);5-6,8-10,12,19,23H,2-4,7H2,1H3;5,7-11,18H,2-4,6H2,1H3,(H,23,24).

What are the key properties of 5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine;3-methyl-N-[5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine?

5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine;3-methyl-N-[5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2007.52 g/mol, XLogP of 14.84, 21 rotatable bonds, 11 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine;3-methyl-N-[5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 158081547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158081547 — identifiers, structure, computed properties (public domain)

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