5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine);6-bromo-3-(6-methyl-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane

C93H107Br6N37OS — CID 159192411

About 5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine);6-bromo-3-(6-methyl-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane

5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine);6-bromo-3-(6-methyl-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane (PubChem CID 159192411) has the molecular formula C93H107Br6N37OS and a molecular weight of 2270.63 g/mol. Its IUPAC name is 5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine);6-bromo-3-(6-methyl-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane.

Molecular Properties

• Compound Name: 5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine);6-bromo-3-(6-methyl-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane
• PubChem CID: 159192411
• Molecular Formula: C93H107Br6N37OS
• Molecular Weight: 2270.63 g/mol
• Exact Mass: 2263.43
• IUPAC Name: 5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine);6-bromo-3-(6-methyl-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane
• SMILES: C.Cc1ccc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1.Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1.Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1.Nc1c(Br)c(C2CCCNC2)nc2c(-c3cccnc3)cnn12.Nc1c(Br)c(C2CCCNC2)nc2c(-c3ccoc3)cnn12.Nc1c(Br)c(N2CC[C@H](N)C2)nc2c(-c3ccsc3)cnn12
• InChI: InChI=1S/C17H19BrN6.C16H17BrN6.2C15H18BrN7.C15H16BrN5O.C14H15BrN6S.CH4/c1-10-4-5-11(8-21-10)13-9-22-24-16(19)14(18)15(23-17(13)24)12-3-2-6-20-7-12;17-13-14(11-4-2-6-20-8-11)22-16-12(9-21-23(16)15(13)18)10-3-1-5-19-7-10;2*1-22-8-10(6-19-22)11-7-20-23-14(17)12(16)13(21-15(11)23)9-3-2-4-18-5-9;16-12-13(9-2-1-4-18-6-9)20-15-11(10-3-5-22-8-10)7-19-21(15)14(12)17;15-11-12(17)21-13(10(5-18-21)8-2-4-22-7-8)19-14(11)20-3-1-9(16)6-20;/h4-5,8-9,12,20H,2-3,6-7,19H2,1H3;1,3,5,7,9,11,20H,2,4,6,8,18H2;2*6-9,18H,2-5,17H2,1H3;3,5,7-9,18H,1-2,4,6,17H2;2,4-5,7,9H,1,3,6,16-17H2;1H4/t;;;;;9-;/m.....0./s1
• InChIKey: KOGFXERGSVMMHS-JVYDWCSVSA-N
• XLogP: 15.17
• TPSA: 501.23 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 39
• Rotatable Bonds: 12
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2270.63
LogP ≤ 5	15.17
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine);6-bromo-3-(6-methyl-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane?

The IUPAC name of 5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine);6-bromo-3-(6-methyl-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane (CID 159192411) is 5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine);6-bromo-3-(6-methyl-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane.

What is the SMILES notation for 5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine);6-bromo-3-(6-methyl-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane?

The canonical SMILES for 5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine);6-bromo-3-(6-methyl-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane is C.Cc1ccc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1.Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1.Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1.Nc1c(Br)c(C2CCCNC2)nc2c(-c3cccnc3)cnn12.Nc1c(Br)c(C2CCCNC2)nc2c(-c3ccoc3)cnn12.Nc1c(Br)c(N2CC[C@H](N)C2)nc2c(-c3ccsc3)cnn12.

What is the InChIKey of 5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine);6-bromo-3-(6-methyl-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane?

The InChIKey is KOGFXERGSVMMHS-JVYDWCSVSA-N. The full InChI is InChI=1S/C17H19BrN6.C16H17BrN6.2C15H18BrN7.C15H16BrN5O.C14H15BrN6S.CH4/c1-10-4-5-11(8-21-10)13-9-22-24-16(19)14(18)15(23-17(13)24)12-3-2-6-20-7-12;17-13-14(11-4-2-6-20-8-11)22-16-12(9-21-23(16)15(13)18)10-3-1-5-19-7-10;2*1-22-8-10(6-19-22)11-7-20-23-14(17)12(16)13(21-15(11)23)9-3-2-4-18-5-9;16-12-13(9-2-1-4-18-6-9)20-15-11(10-3-5-22-8-10)7-19-21(15)14(12)17;15-11-12(17)21-13(10(5-18-21)8-2-4-22-7-8)19-14(11)20-3-1-9(16)6-20;/h4-5,8-9,12,20H,2-3,6-7,19H2,1H3;1,3,5,7,9,11,20H,2,4,6,8,18H2;2*6-9,18H,2-5,17H2,1H3;3,5,7-9,18H,1-2,4,6,17H2;2,4-5,7,9H,1,3,6,16-17H2;1H4/t;;;;;9-;/m.....0./s1.

What are the key properties of 5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine);6-bromo-3-(6-methyl-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane?

5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine);6-bromo-3-(6-methyl-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane has a molecular weight of 2270.63 g/mol, XLogP of 15.17, 12 rotatable bonds, 12 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine);6-bromo-3-(6-methyl-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane is sourced from PubChem (CID 159192411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).