5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;3-(morpholin-4-ylmethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C73H90Br3N27O3 — CID 160685448

About 5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;3-(morpholin-4-ylmethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;3-(morpholin-4-ylmethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 160685448) has the molecular formula C73H90Br3N27O3 and a molecular weight of 1633.42 g/mol. Its IUPAC name is 5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;3-(morpholin-4-ylmethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;3-(morpholin-4-ylmethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 160685448
• Molecular Formula: C73H90Br3N27O3
• Molecular Weight: 1633.42 g/mol
• Exact Mass: 1629.53
• IUPAC Name: 5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;3-(morpholin-4-ylmethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: COC(=O)c1cccc(-c2cnn3c(N)cc(C4CCCNC4)nc23)c1.Nc1c(Br)c(C2CCCNC2)nc2c(Br)cnn12.Nc1cc(C2CCCNC2)nc2c(-c3ccccc3)cnn12.Nc1cc(C2CCCNC2)nc2c(CN3CCOCC3)cnn12.Nc1cc(N2CC[C@@H](N)C2)nc2c(Br)cnn12
• InChI: InChI=1S/C19H21N5O2.C17H19N5.C16H24N6O.C11H13Br2N5.C10H13BrN6/c1-26-19(25)13-5-2-4-12(8-13)15-11-22-24-17(20)9-16(23-18(15)24)14-6-3-7-21-10-14;18-16-9-15(13-7-4-8-19-10-13)21-17-14(11-20-22(16)17)12-5-2-1-3-6-12;17-15-8-14(12-2-1-3-18-9-12)20-16-13(10-19-22(15)16)11-21-4-6-23-7-5-21;12-7-5-16-18-10(14)8(13)9(17-11(7)18)6-2-1-3-15-4-6;11-7-4-14-17-8(13)3-9(15-10(7)17)16-2-1-6(12)5-16/h2,4-5,8-9,11,14,21H,3,6-7,10,20H2,1H3;1-3,5-6,9,11,13,19H,4,7-8,10,18H2;8,10,12,18H,1-7,9,11,17H2;5-6,15H,1-4,14H2;3-4,6H,1-2,5,12-13H2/t;;;;6-/m....1/s1
• InChIKey: RORWTGPTMNWFBN-HAAABYBUSA-N
• XLogP: 8.20
• TPSA: 397.20 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 30
• Rotatable Bonds: 10
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1633.42
LogP ≤ 5	8.20
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;3-(morpholin-4-ylmethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;3-(morpholin-4-ylmethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 160685448) is 5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;3-(morpholin-4-ylmethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;3-(morpholin-4-ylmethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;3-(morpholin-4-ylmethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is COC(=O)c1cccc(-c2cnn3c(N)cc(C4CCCNC4)nc23)c1.Nc1c(Br)c(C2CCCNC2)nc2c(Br)cnn12.Nc1cc(C2CCCNC2)nc2c(-c3ccccc3)cnn12.Nc1cc(C2CCCNC2)nc2c(CN3CCOCC3)cnn12.Nc1cc(N2CC[C@@H](N)C2)nc2c(Br)cnn12.

What is the InChIKey of 5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;3-(morpholin-4-ylmethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is RORWTGPTMNWFBN-HAAABYBUSA-N. The full InChI is InChI=1S/C19H21N5O2.C17H19N5.C16H24N6O.C11H13Br2N5.C10H13BrN6/c1-26-19(25)13-5-2-4-12(8-13)15-11-22-24-17(20)9-16(23-18(15)24)14-6-3-7-21-10-14;18-16-9-15(13-7-4-8-19-10-13)21-17-14(11-20-22(16)17)12-5-2-1-3-6-12;17-15-8-14(12-2-1-3-18-9-12)20-16-13(10-19-22(15)16)11-21-4-6-23-7-5-21;12-7-5-16-18-10(14)8(13)9(17-11(7)18)6-2-1-3-15-4-6;11-7-4-14-17-8(13)3-9(15-10(7)17)16-2-1-6(12)5-16/h2,4-5,8-9,11,14,21H,3,6-7,10,20H2,1H3;1-3,5-6,9,11,13,19H,4,7-8,10,18H2;8,10,12,18H,1-7,9,11,17H2;5-6,15H,1-4,14H2;3-4,6H,1-2,5,12-13H2/t;;;;6-/m....1/s1.

What are the key properties of 5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;3-(morpholin-4-ylmethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;3-(morpholin-4-ylmethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 1633.42 g/mol, XLogP of 8.20, 10 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;3-(morpholin-4-ylmethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 160685448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).