N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-3-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-yl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine

C72H78Br4N28S — CID 157236333

About N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-3-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-yl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine

N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-3-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-yl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 157236333) has the molecular formula C72H78Br4N28S and a molecular weight of 1687.29 g/mol. Its IUPAC name is N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-3-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-yl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-3-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-yl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 157236333
• Molecular Formula: C72H78Br4N28S
• Molecular Weight: 1687.29 g/mol
• Exact Mass: 1682.34
• IUPAC Name: N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-3-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-yl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: Brc1cnn2c(NCc3ccc(-c4csnn4)cc3)cc(C3CCNCC3)nc12.Brc1cnn2c(NCc3ccc4nc[nH]c4c3)cc(C3CCNCC3)nc12.Brc1cnn2c(NCc3cccnc3)cc(C3CCCNC3)nc12.Nc1ncc(CNc2cc(C3CCCNC3)nc3c(Br)cnn23)cn1
• InChI: InChI=1S/C20H20BrN7S.C19H20BrN7.C17H19BrN6.C16H19BrN8/c21-16-11-24-28-19(9-17(25-20(16)28)15-5-7-22-8-6-15)23-10-13-1-3-14(4-2-13)18-12-29-27-26-18;20-14-10-25-27-18(8-16(26-19(14)27)13-3-5-21-6-4-13)22-9-12-1-2-15-17(7-12)24-11-23-15;18-14-11-22-24-16(21-9-12-3-1-5-19-8-12)7-15(23-17(14)24)13-4-2-6-20-10-13;17-12-9-23-25-14(20-5-10-6-21-16(18)22-7-10)4-13(24-15(12)25)11-2-1-3-19-8-11/h1-4,9,11-12,15,22-23H,5-8,10H2;1-2,7-8,10-11,13,21-22H,3-6,9H2,(H,23,24);1,3,5,7-8,11,13,20-21H,2,4,6,9-10H2;4,6-7,9,11,19-20H,1-3,5,8H2,(H2,18,21,22)
• InChIKey: AURISQHRWYPWPT-UHFFFAOYSA-N
• XLogP: 12.45
• TPSA: 336.15 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 28
• Rotatable Bonds: 17
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1687.29
LogP ≤ 5	12.45
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-3-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-yl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-3-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-yl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 157236333) is N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-3-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-yl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-3-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-yl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-3-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-yl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine is Brc1cnn2c(NCc3ccc(-c4csnn4)cc3)cc(C3CCNCC3)nc12.Brc1cnn2c(NCc3ccc4nc[nH]c4c3)cc(C3CCNCC3)nc12.Brc1cnn2c(NCc3cccnc3)cc(C3CCCNC3)nc12.Nc1ncc(CNc2cc(C3CCCNC3)nc3c(Br)cnn23)cn1.

What is the InChIKey of N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-3-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-yl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is AURISQHRWYPWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN7S.C19H20BrN7.C17H19BrN6.C16H19BrN8/c21-16-11-24-28-19(9-17(25-20(16)28)15-5-7-22-8-6-15)23-10-13-1-3-14(4-2-13)18-12-29-27-26-18;20-14-10-25-27-18(8-16(26-19(14)27)13-3-5-21-6-4-13)22-9-12-1-2-15-17(7-12)24-11-23-15;18-14-11-22-24-16(21-9-12-3-1-5-19-8-12)7-15(23-17(14)24)13-4-2-6-20-10-13;17-12-9-23-25-14(20-5-10-6-21-16(18)22-7-10)4-13(24-15(12)25)11-2-1-3-19-8-11/h1-4,9,11-12,15,22-23H,5-8,10H2;1-2,7-8,10-11,13,21-22H,3-6,9H2,(H,23,24);1,3,5,7-8,11,13,20-21H,2,4,6,9-10H2;4,6-7,9,11,19-20H,1-3,5,8H2,(H2,18,21,22).

What are the key properties of N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-3-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-yl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?

N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-3-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-yl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 1687.29 g/mol, XLogP of 12.45, 17 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-3-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-yl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 157236333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).