6-bromo-3-(5-methylcyclopenta-1,4-dien-1-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(2-methylthiophen-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(3H-pyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(4-methylcyclopenta-1,4-dien-1-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(5-piperidin-3-yl-3-prop-1-ynylpyrazolo[1,5-a]pyrimidin-7-amine)

C93H110Br3N31S — CID 157455036

About 6-bromo-3-(5-methylcyclopenta-1,4-dien-1-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(2-methylthiophen-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(3H-pyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(4-methylcyclopenta-1,4-dien-1-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(5-piperidin-3-yl-3-prop-1-ynylpyrazolo[1,5-a]pyrimidin-7-amine)

6-bromo-3-(5-methylcyclopenta-1,4-dien-1-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(2-methylthiophen-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(3H-pyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(4-methylcyclopenta-1,4-dien-1-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(5-piperidin-3-yl-3-prop-1-ynylpyrazolo[1,5-a]pyrimidin-7-amine) (PubChem CID 157455036) has the molecular formula C93H110Br3N31S and a molecular weight of 1933.90 g/mol. Its IUPAC name is 6-bromo-3-(5-methylcyclopenta-1,4-dien-1-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(2-methylthiophen-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(3H-pyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(4-methylcyclopenta-1,4-dien-1-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(5-piperidin-3-yl-3-prop-1-ynylpyrazolo[1,5-a]pyrimidin-7-amine).

Molecular Properties

• Compound Name: 6-bromo-3-(5-methylcyclopenta-1,4-dien-1-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(2-methylthiophen-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(3H-pyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(4-methylcyclopenta-1,4-dien-1-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(5-piperidin-3-yl-3-prop-1-ynylpyrazolo[1,5-a]pyrimidin-7-amine)
• PubChem CID: 157455036
• Molecular Formula: C93H110Br3N31S
• Molecular Weight: 1933.90 g/mol
• Exact Mass: 1929.68
• IUPAC Name: 6-bromo-3-(5-methylcyclopenta-1,4-dien-1-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(2-methylthiophen-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(3H-pyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(4-methylcyclopenta-1,4-dien-1-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(5-piperidin-3-yl-3-prop-1-ynylpyrazolo[1,5-a]pyrimidin-7-amine)
• SMILES: CC#Cc1cnn2c(N)cc(C3CCCNC3)nc12.CC#Cc1cnn2c(N)cc(C3CCCNC3)nc12.CC1=CC(c2cnn3c(N)cc(C4CCCNC4)nc23)=CC1.CC1=CCC=C1c1cnn2c(N)c(Br)c(C3CCCNC3)nc12.Cc1sccc1-c1cnn2c(N)c(Br)c(C3CCCNC3)nc12.Nc1c(Br)c(C2CCCNC2)nc2c(C3=NC=CC3)cnn12
• InChI: InChI=1S/C17H20BrN5.C17H21N5.C16H18BrN5S.C15H17BrN6.2C14H17N5/c1-10-4-2-6-12(10)13-9-21-23-16(19)14(18)15(22-17(13)23)11-5-3-7-20-8-11;1-11-4-5-12(7-11)14-10-20-22-16(18)8-15(21-17(14)22)13-3-2-6-19-9-13;1-9-11(4-6-23-9)12-8-20-22-15(18)13(17)14(21-16(12)22)10-3-2-5-19-7-10;16-12-13(9-3-1-5-18-7-9)21-15-10(11-4-2-6-19-11)8-20-22(15)14(12)17;2*1-2-4-11-9-17-19-13(15)7-12(18-14(11)19)10-5-3-6-16-8-10/h4,6,9,11,20H,2-3,5,7-8,19H2,1H3;5,7-8,10,13,19H,2-4,6,9,18H2,1H3;4,6,8,10,19H,2-3,5,7,18H2,1H3;2,6,8-9,18H,1,3-5,7,17H2;2*7,9-10,16H,3,5-6,8,15H2,1H3
• InChIKey: BTGFTUCLFQTEQF-UHFFFAOYSA-N
• XLogP: 13.91
• TPSA: 421.80 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 32
• Rotatable Bonds: 10
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1933.90
LogP ≤ 5	13.91
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(5-methylcyclopenta-1,4-dien-1-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(2-methylthiophen-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(3H-pyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(4-methylcyclopenta-1,4-dien-1-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(5-piperidin-3-yl-3-prop-1-ynylpyrazolo[1,5-a]pyrimidin-7-amine)?

The IUPAC name of 6-bromo-3-(5-methylcyclopenta-1,4-dien-1-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(2-methylthiophen-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(3H-pyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(4-methylcyclopenta-1,4-dien-1-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(5-piperidin-3-yl-3-prop-1-ynylpyrazolo[1,5-a]pyrimidin-7-amine) (CID 157455036) is 6-bromo-3-(5-methylcyclopenta-1,4-dien-1-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(2-methylthiophen-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(3H-pyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(4-methylcyclopenta-1,4-dien-1-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(5-piperidin-3-yl-3-prop-1-ynylpyrazolo[1,5-a]pyrimidin-7-amine).

What is the SMILES notation for 6-bromo-3-(5-methylcyclopenta-1,4-dien-1-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(2-methylthiophen-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(3H-pyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(4-methylcyclopenta-1,4-dien-1-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(5-piperidin-3-yl-3-prop-1-ynylpyrazolo[1,5-a]pyrimidin-7-amine)?

The canonical SMILES for 6-bromo-3-(5-methylcyclopenta-1,4-dien-1-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(2-methylthiophen-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(3H-pyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(4-methylcyclopenta-1,4-dien-1-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(5-piperidin-3-yl-3-prop-1-ynylpyrazolo[1,5-a]pyrimidin-7-amine) is CC#Cc1cnn2c(N)cc(C3CCCNC3)nc12.CC#Cc1cnn2c(N)cc(C3CCCNC3)nc12.CC1=CC(c2cnn3c(N)cc(C4CCCNC4)nc23)=CC1.CC1=CCC=C1c1cnn2c(N)c(Br)c(C3CCCNC3)nc12.Cc1sccc1-c1cnn2c(N)c(Br)c(C3CCCNC3)nc12.Nc1c(Br)c(C2CCCNC2)nc2c(C3=NC=CC3)cnn12.

What is the InChIKey of 6-bromo-3-(5-methylcyclopenta-1,4-dien-1-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(2-methylthiophen-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(3H-pyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(4-methylcyclopenta-1,4-dien-1-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(5-piperidin-3-yl-3-prop-1-ynylpyrazolo[1,5-a]pyrimidin-7-amine)?

The InChIKey is BTGFTUCLFQTEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN5.C17H21N5.C16H18BrN5S.C15H17BrN6.2C14H17N5/c1-10-4-2-6-12(10)13-9-21-23-16(19)14(18)15(22-17(13)23)11-5-3-7-20-8-11;1-11-4-5-12(7-11)14-10-20-22-16(18)8-15(21-17(14)22)13-3-2-6-19-9-13;1-9-11(4-6-23-9)12-8-20-22-15(18)13(17)14(21-16(12)22)10-3-2-5-19-7-10;16-12-13(9-3-1-5-18-7-9)21-15-10(11-4-2-6-19-11)8-20-22(15)14(12)17;2*1-2-4-11-9-17-19-13(15)7-12(18-14(11)19)10-5-3-6-16-8-10/h4,6,9,11,20H,2-3,5,7-8,19H2,1H3;5,7-8,10,13,19H,2-4,6,9,18H2,1H3;4,6,8,10,19H,2-3,5,7,18H2,1H3;2,6,8-9,18H,1,3-5,7,17H2;2*7,9-10,16H,3,5-6,8,15H2,1H3.

What are the key properties of 6-bromo-3-(5-methylcyclopenta-1,4-dien-1-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(2-methylthiophen-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(3H-pyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(4-methylcyclopenta-1,4-dien-1-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(5-piperidin-3-yl-3-prop-1-ynylpyrazolo[1,5-a]pyrimidin-7-amine)?

6-bromo-3-(5-methylcyclopenta-1,4-dien-1-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(2-methylthiophen-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(3H-pyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(4-methylcyclopenta-1,4-dien-1-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(5-piperidin-3-yl-3-prop-1-ynylpyrazolo[1,5-a]pyrimidin-7-amine) has a molecular weight of 1933.90 g/mol, XLogP of 13.91, 10 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-3-(5-methylcyclopenta-1,4-dien-1-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(2-methylthiophen-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(3H-pyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(4-methylcyclopenta-1,4-dien-1-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(5-piperidin-3-yl-3-prop-1-ynylpyrazolo[1,5-a]pyrimidin-7-amine) is sourced from PubChem (CID 157455036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).