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

C68H78Br4N26O2S — CID 158651131

About N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[(3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]benzenesulfonamide;3-bromo-5-piperidin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-3-yl-N-(pyridin-3-ylmethyl)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;4-[[(3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]benzenesulfonamide;3-bromo-5-piperidin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-3-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 158651131) has the molecular formula C68H78Br4N26O2S and a molecular weight of 1643.23 g/mol. Its IUPAC name is N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[(3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]benzenesulfonamide;3-bromo-5-piperidin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-3-yl-N-(pyridin-3-ylmethyl)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;4-[[(3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]benzenesulfonamide;3-bromo-5-piperidin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-3-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 158651131
• Molecular Formula: C68H78Br4N26O2S
• Molecular Weight: 1643.23 g/mol
• Exact Mass: 1638.33
• IUPAC Name: N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[(3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]benzenesulfonamide;3-bromo-5-piperidin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-3-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: Brc1cnn2c(NCc3cccnc3)cc(C3CCCCN3)nc12.Brc1cnn2c(NCc3cccnc3)cc(C3CCCNC3)nc12.NS(=O)(=O)c1ccc(CNc2cc(C3CCNCC3)nc3c(Br)cnn23)cc1.Nc1ncc(CNc2cc(C3CCCNC3)nc3c(Br)cnn23)cn1
• InChI: InChI=1S/C18H21BrN6O2S.2C17H19BrN6.C16H19BrN8/c19-15-11-23-25-17(9-16(24-18(15)25)13-5-7-21-8-6-13)22-10-12-1-3-14(4-2-12)28(20,26)27;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;18-13-11-22-24-16(21-10-12-4-3-6-19-9-12)8-15(23-17(13)24)14-5-1-2-7-20-14;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/h1-4,9,11,13,21-22H,5-8,10H2,(H2,20,26,27);1,3,5,7-8,11,13,20-21H,2,4,6,9-10H2;3-4,6,8-9,11,14,20-21H,1-2,5,7,10H2;4,6-7,9,11,19-20H,1-3,5,8H2,(H2,18,21,22)
• InChIKey: IBOKOOOARWSAPW-UHFFFAOYSA-N
• XLogP: 10.44
• TPSA: 354.74 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 27
• Rotatable Bonds: 17
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1643.23
LogP ≤ 5	10.44
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	27

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;4-[[(3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]benzenesulfonamide;3-bromo-5-piperidin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-3-yl-N-(pyridin-3-ylmethyl)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;4-[[(3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]benzenesulfonamide;3-bromo-5-piperidin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-3-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 158651131) is N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[(3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]benzenesulfonamide;3-bromo-5-piperidin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-3-yl-N-(pyridin-3-ylmethyl)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;4-[[(3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]benzenesulfonamide;3-bromo-5-piperidin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-3-yl-N-(pyridin-3-ylmethyl)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;4-[[(3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]benzenesulfonamide;3-bromo-5-piperidin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-3-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is Brc1cnn2c(NCc3cccnc3)cc(C3CCCCN3)nc12.Brc1cnn2c(NCc3cccnc3)cc(C3CCCNC3)nc12.NS(=O)(=O)c1ccc(CNc2cc(C3CCNCC3)nc3c(Br)cnn23)cc1.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;4-[[(3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]benzenesulfonamide;3-bromo-5-piperidin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-3-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is IBOKOOOARWSAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN6O2S.2C17H19BrN6.C16H19BrN8/c19-15-11-23-25-17(9-16(24-18(15)25)13-5-7-21-8-6-13)22-10-12-1-3-14(4-2-12)28(20,26)27;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;18-13-11-22-24-16(21-10-12-4-3-6-19-9-12)8-15(23-17(13)24)14-5-1-2-7-20-14;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/h1-4,9,11,13,21-22H,5-8,10H2,(H2,20,26,27);1,3,5,7-8,11,13,20-21H,2,4,6,9-10H2;3-4,6,8-9,11,14,20-21H,1-2,5,7,10H2;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;4-[[(3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]benzenesulfonamide;3-bromo-5-piperidin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-3-yl-N-(pyridin-3-ylmethyl)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;4-[[(3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]benzenesulfonamide;3-bromo-5-piperidin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-3-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 1643.23 g/mol, XLogP of 10.44, 17 rotatable bonds, 10 hydrogen bond donors, and 27 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;4-[[(3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]benzenesulfonamide;3-bromo-5-piperidin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-3-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 158651131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).