4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;4-(7-amino-6-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;5-[(1S,3R)-3-aminocyclohexyl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C93H97Br5ClN39O3 — CID 157223438

About 4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;4-(7-amino-6-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;5-[(1S,3R)-3-aminocyclohexyl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;4-(7-amino-6-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;5-[(1S,3R)-3-aminocyclohexyl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 157223438) has the molecular formula C93H97Br5ClN39O3 and a molecular weight of 2244.04 g/mol. Its IUPAC name is 4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;4-(7-amino-6-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;5-[(1S,3R)-3-aminocyclohexyl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;4-(7-amino-6-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;5-[(1S,3R)-3-aminocyclohexyl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 157223438
• Molecular Formula: C93H97Br5ClN39O3
• Molecular Weight: 2244.04 g/mol
• Exact Mass: 2237.42
• IUPAC Name: 4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;4-(7-amino-6-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;5-[(1S,3R)-3-aminocyclohexyl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: Cn1cc(-c2cnn3c(N)c(Br)c([C@H]4CCC[C@@H](N)C4)nc23)cn1.N#Cc1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)co1.N#Cc1cc(-c2cnn3c(N)c(Cl)c(C4CCCNC4)nc23)co1.N#Cc1ccc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1.Nc1c(Br)c(C2CCCNC2)nc2c(-c3cn[nH]c3)cnn12.Nc1c(Br)c(C2CCCNC2)nc2c(-c3cnoc3)cnn12
• InChI: InChI=1S/C17H16BrN7.C16H20BrN7.C16H15BrN6O.C16H15ClN6O.C14H16BrN7.C14H15BrN6O/c18-14-15(11-2-1-5-21-7-11)24-17-13(9-23-25(17)16(14)20)10-3-4-12(6-19)22-8-10;1-23-8-10(6-20-23)12-7-21-24-15(19)13(17)14(22-16(12)24)9-3-2-4-11(18)5-9;2*17-13-14(9-2-1-3-20-6-9)22-16-12(7-21-23(16)15(13)19)10-4-11(5-18)24-8-10;15-11-12(8-2-1-3-17-4-8)21-14-10(9-5-18-19-6-9)7-20-22(14)13(11)16;15-11-12(8-2-1-3-17-4-8)20-14-10(9-5-19-22-7-9)6-18-21(14)13(11)16/h3-4,8-9,11,21H,1-2,5,7,20H2;6-9,11H,2-5,18-19H2,1H3;2*4,7-9,20H,1-3,6,19H2;5-8,17H,1-4,16H2,(H,18,19);5-8,17H,1-4,16H2/t;9-,11+;;;;/m.0..../s1
• InChIKey: ATGLQXKROGDDDI-BYFFXMKVSA-N
• XLogP: 14.30
• TPSA: 606.50 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 41
• Rotatable Bonds: 12
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2244.04
LogP ≤ 5	14.30
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of 4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;4-(7-amino-6-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;5-[(1S,3R)-3-aminocyclohexyl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;4-(7-amino-6-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;5-[(1S,3R)-3-aminocyclohexyl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 157223438) is 4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;4-(7-amino-6-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;5-[(1S,3R)-3-aminocyclohexyl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;4-(7-amino-6-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;5-[(1S,3R)-3-aminocyclohexyl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;4-(7-amino-6-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;5-[(1S,3R)-3-aminocyclohexyl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is Cn1cc(-c2cnn3c(N)c(Br)c([C@H]4CCC[C@@H](N)C4)nc23)cn1.N#Cc1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)co1.N#Cc1cc(-c2cnn3c(N)c(Cl)c(C4CCCNC4)nc23)co1.N#Cc1ccc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1.Nc1c(Br)c(C2CCCNC2)nc2c(-c3cn[nH]c3)cnn12.Nc1c(Br)c(C2CCCNC2)nc2c(-c3cnoc3)cnn12.

What is the InChIKey of 4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;4-(7-amino-6-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;5-[(1S,3R)-3-aminocyclohexyl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is ATGLQXKROGDDDI-BYFFXMKVSA-N. The full InChI is InChI=1S/C17H16BrN7.C16H20BrN7.C16H15BrN6O.C16H15ClN6O.C14H16BrN7.C14H15BrN6O/c18-14-15(11-2-1-5-21-7-11)24-17-13(9-23-25(17)16(14)20)10-3-4-12(6-19)22-8-10;1-23-8-10(6-20-23)12-7-21-24-15(19)13(17)14(22-16(12)24)9-3-2-4-11(18)5-9;2*17-13-14(9-2-1-3-20-6-9)22-16-12(7-21-23(16)15(13)19)10-4-11(5-18)24-8-10;15-11-12(8-2-1-3-17-4-8)21-14-10(9-5-18-19-6-9)7-20-22(14)13(11)16;15-11-12(8-2-1-3-17-4-8)20-14-10(9-5-19-22-7-9)6-18-21(14)13(11)16/h3-4,8-9,11,21H,1-2,5,7,20H2;6-9,11H,2-5,18-19H2,1H3;2*4,7-9,20H,1-3,6,19H2;5-8,17H,1-4,16H2,(H,18,19);5-8,17H,1-4,16H2/t;9-,11+;;;;/m.0..../s1.

What are the key properties of 4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;4-(7-amino-6-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;5-[(1S,3R)-3-aminocyclohexyl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?

4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;4-(7-amino-6-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;5-[(1S,3R)-3-aminocyclohexyl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2244.04 g/mol, XLogP of 14.30, 12 rotatable bonds, 13 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;4-(7-amino-6-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;5-[(1S,3R)-3-aminocyclohexyl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 157223438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).