5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;[(1R,2S)-2-[[3-bromo-7-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;3-bromo-5-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;[(1R,2S)-2-[[3-bromo-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;[(1R,2S)-2-[[3-bromo-7-(2-piperidin-1-ylethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;3-bromo-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine

C89H125Br6N35O4 — CID 159511972

About 5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;[(1R,2S)-2-[[3-bromo-7-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;3-bromo-5-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;[(1R,2S)-2-[[3-bromo-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;[(1R,2S)-2-[[3-bromo-7-(2-piperidin-1-ylethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;3-bromo-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine

5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;[(1R,2S)-2-[[3-bromo-7-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;3-bromo-5-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;[(1R,2S)-2-[[3-bromo-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;[(1R,2S)-2-[[3-bromo-7-(2-piperidin-1-ylethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;3-bromo-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 159511972) has the molecular formula C89H125Br6N35O4 and a molecular weight of 2228.64 g/mol. Its IUPAC name is 5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;[(1R,2S)-2-[[3-bromo-7-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;3-bromo-5-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;[(1R,2S)-2-[[3-bromo-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;[(1R,2S)-2-[[3-bromo-7-(2-piperidin-1-ylethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;3-bromo-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;[(1R,2S)-2-[[3-bromo-7-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;3-bromo-5-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;[(1R,2S)-2-[[3-bromo-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;[(1R,2S)-2-[[3-bromo-7-(2-piperidin-1-ylethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;3-bromo-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 159511972
• Molecular Formula: C89H125Br6N35O4
• Molecular Weight: 2228.64 g/mol
• Exact Mass: 2221.58
• IUPAC Name: 5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;[(1R,2S)-2-[[3-bromo-7-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;3-bromo-5-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;[(1R,2S)-2-[[3-bromo-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;[(1R,2S)-2-[[3-bromo-7-(2-piperidin-1-ylethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;3-bromo-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: CN(C)CCNc1cc(N[C@H]2CCCC[C@H]2CO)nc2c(Br)cnn12.CN1CCC(Nc2cc(N)n3ncc(Br)c3n2)CC1.Nc1cc(-c2ccncc2)nc2c(Br)cnn12.Nc1cc(N2CC[C@H](N)C2)nc2c(Br)cnn12.OC[C@@H]1CCCC[C@@H]1Nc1cc(NCCN2CCCCC2)n2ncc(Br)c2n1.OC[C@@H]1CCCC[C@@H]1Nc1cc(NCCN2CCOCC2)n2ncc(Br)c2n1
• InChI: InChI=1S/C20H31BrN6O.C19H29BrN6O2.C17H27BrN6O.C12H17BrN6.C11H8BrN5.C10H13BrN6/c21-16-13-23-27-19(22-8-11-26-9-4-1-5-10-26)12-18(25-20(16)27)24-17-7-3-2-6-15(17)14-28;20-15-12-22-26-18(21-5-6-25-7-9-28-10-8-25)11-17(24-19(15)26)23-16-4-2-1-3-14(16)13-27;1-23(2)8-7-19-16-9-15(22-17-13(18)10-20-24(16)17)21-14-6-4-3-5-12(14)11-25;1-18-4-2-8(3-5-18)16-11-6-10(14)19-12(17-11)9(13)7-15-19;12-8-6-15-17-10(13)5-9(16-11(8)17)7-1-3-14-4-2-7;11-7-4-14-17-8(13)3-9(15-10(7)17)16-2-1-6(12)5-16/h12-13,15,17,22,28H,1-11,14H2,(H,24,25);11-12,14,16,21,27H,1-10,13H2,(H,23,24);9-10,12,14,19,25H,3-8,11H2,1-2H3,(H,21,22);6-8H,2-5,14H2,1H3,(H,16,17);1-6H,13H2;3-4,6H,1-2,5,12-13H2/t15-,17-;14-,16-;12-,14-;;;6-/m000..0/s1
• InChIKey: MASGDKHLHSTNQG-NBRLKVOVSA-N
• XLogP: 12.31
• TPSA: 468.44 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 39
• Rotatable Bonds: 25
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2228.64
LogP ≤ 5	12.31
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;[(1R,2S)-2-[[3-bromo-7-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;3-bromo-5-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;[(1R,2S)-2-[[3-bromo-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;[(1R,2S)-2-[[3-bromo-7-(2-piperidin-1-ylethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;3-bromo-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;[(1R,2S)-2-[[3-bromo-7-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;3-bromo-5-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;[(1R,2S)-2-[[3-bromo-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;[(1R,2S)-2-[[3-bromo-7-(2-piperidin-1-ylethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;3-bromo-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 159511972) is 5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;[(1R,2S)-2-[[3-bromo-7-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;3-bromo-5-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;[(1R,2S)-2-[[3-bromo-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;[(1R,2S)-2-[[3-bromo-7-(2-piperidin-1-ylethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;3-bromo-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;[(1R,2S)-2-[[3-bromo-7-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;3-bromo-5-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;[(1R,2S)-2-[[3-bromo-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;[(1R,2S)-2-[[3-bromo-7-(2-piperidin-1-ylethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;3-bromo-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;[(1R,2S)-2-[[3-bromo-7-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;3-bromo-5-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;[(1R,2S)-2-[[3-bromo-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;[(1R,2S)-2-[[3-bromo-7-(2-piperidin-1-ylethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;3-bromo-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine is CN(C)CCNc1cc(N[C@H]2CCCC[C@H]2CO)nc2c(Br)cnn12.CN1CCC(Nc2cc(N)n3ncc(Br)c3n2)CC1.Nc1cc(-c2ccncc2)nc2c(Br)cnn12.Nc1cc(N2CC[C@H](N)C2)nc2c(Br)cnn12.OC[C@@H]1CCCC[C@@H]1Nc1cc(NCCN2CCCCC2)n2ncc(Br)c2n1.OC[C@@H]1CCCC[C@@H]1Nc1cc(NCCN2CCOCC2)n2ncc(Br)c2n1.

What is the InChIKey of 5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;[(1R,2S)-2-[[3-bromo-7-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;3-bromo-5-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;[(1R,2S)-2-[[3-bromo-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;[(1R,2S)-2-[[3-bromo-7-(2-piperidin-1-ylethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;3-bromo-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is MASGDKHLHSTNQG-NBRLKVOVSA-N. The full InChI is InChI=1S/C20H31BrN6O.C19H29BrN6O2.C17H27BrN6O.C12H17BrN6.C11H8BrN5.C10H13BrN6/c21-16-13-23-27-19(22-8-11-26-9-4-1-5-10-26)12-18(25-20(16)27)24-17-7-3-2-6-15(17)14-28;20-15-12-22-26-18(21-5-6-25-7-9-28-10-8-25)11-17(24-19(15)26)23-16-4-2-1-3-14(16)13-27;1-23(2)8-7-19-16-9-15(22-17-13(18)10-20-24(16)17)21-14-6-4-3-5-12(14)11-25;1-18-4-2-8(3-5-18)16-11-6-10(14)19-12(17-11)9(13)7-15-19;12-8-6-15-17-10(13)5-9(16-11(8)17)7-1-3-14-4-2-7;11-7-4-14-17-8(13)3-9(15-10(7)17)16-2-1-6(12)5-16/h12-13,15,17,22,28H,1-11,14H2,(H,24,25);11-12,14,16,21,27H,1-10,13H2,(H,23,24);9-10,12,14,19,25H,3-8,11H2,1-2H3,(H,21,22);6-8H,2-5,14H2,1H3,(H,16,17);1-6H,13H2;3-4,6H,1-2,5,12-13H2/t15-,17-;14-,16-;12-,14-;;;6-/m000..0/s1.

What are the key properties of 5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;[(1R,2S)-2-[[3-bromo-7-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;3-bromo-5-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;[(1R,2S)-2-[[3-bromo-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;[(1R,2S)-2-[[3-bromo-7-(2-piperidin-1-ylethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;3-bromo-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine?

5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;[(1R,2S)-2-[[3-bromo-7-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;3-bromo-5-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;[(1R,2S)-2-[[3-bromo-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;[(1R,2S)-2-[[3-bromo-7-(2-piperidin-1-ylethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;3-bromo-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2228.64 g/mol, XLogP of 12.31, 25 rotatable bonds, 14 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;[(1R,2S)-2-[[3-bromo-7-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;3-bromo-5-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;[(1R,2S)-2-[[3-bromo-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;[(1R,2S)-2-[[3-bromo-7-(2-piperidin-1-ylethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;3-bromo-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 159511972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).