1-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-phenylurea;5-N-(4-aminocyclohexyl)-3,6-dibromopyrazolo[1,5-a]pyrimidine-5,7-diamine;5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-nitropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine

C79H96Br9Cl2N45O3 — CID 157330834

About 1-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-phenylurea;5-N-(4-aminocyclohexyl)-3,6-dibromopyrazolo[1,5-a]pyrimidine-5,7-diamine;5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-nitropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine

1-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-phenylurea;5-N-(4-aminocyclohexyl)-3,6-dibromopyrazolo[1,5-a]pyrimidine-5,7-diamine;5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-nitropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 157330834) has the molecular formula C79H96Br9Cl2N45O3 and a molecular weight of 2513.99 g/mol. Its IUPAC name is 1-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-phenylurea;5-N-(4-aminocyclohexyl)-3,6-dibromopyrazolo[1,5-a]pyrimidine-5,7-diamine;5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-nitropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 1-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-phenylurea;5-N-(4-aminocyclohexyl)-3,6-dibromopyrazolo[1,5-a]pyrimidine-5,7-diamine;5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-nitropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 157330834
• Molecular Formula: C79H96Br9Cl2N45O3
• Molecular Weight: 2513.99 g/mol
• Exact Mass: 2503.08
• IUPAC Name: 1-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-phenylurea;5-N-(4-aminocyclohexyl)-3,6-dibromopyrazolo[1,5-a]pyrimidine-5,7-diamine;5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-nitropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: Nc1c(Br)c(N2CC[C@@H](N)C2)nc2c(Br)cnn12.Nc1c(Br)c(N2CC[C@H](N)C2)nc2c(Br)cnn12.Nc1c(Br)c(N2CC[C@H](N)C2)nc2c([N+](=O)[O-])cnn12.Nc1c(Br)c(NC2CCC(N)CC2)nc2c(Br)cnn12.Nc1c(Cl)c(N2CC[C@@H](N)C2)nc2c(Br)cnn12.Nc1c(Cl)c(N2CC[C@H](N)C2)nc2c(Br)cnn12.Nc1cc(N2CC[C@H](N)C2)nc2c(NC(=O)Nc3ccccc3)cnn12
• InChI: InChI=1S/C17H20N8O.C12H16Br2N6.2C10H12Br2N6.2C10H12BrClN6.C10H12BrN7O2/c18-11-6-7-24(10-11)15-8-14(19)25-16(23-15)13(9-20-25)22-17(26)21-12-4-2-1-3-5-12;13-8-5-17-20-10(16)9(14)11(19-12(8)20)18-7-3-1-6(15)2-4-7;4*11-6-3-15-18-8(14)7(12)10(16-9(6)18)17-2-1-5(13)4-17;11-7-8(13)17-9(6(3-14-17)18(19)20)15-10(7)16-2-1-5(12)4-16/h1-5,8-9,11H,6-7,10,18-19H2,(H2,21,22,26);5-7H,1-4,15-16H2,(H,18,19);4*3,5H,1-2,4,13-14H2;3,5H,1-2,4,12-13H2/t11-;;5*5-/m0.10100/s1
• InChIKey: BFGQVTBCWQPNSU-PMFYLCOSSA-N
• XLogP: 9.81
• TPSA: 691.35 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 45
• Rotatable Bonds: 11
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2513.99
LogP ≤ 5	9.81
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-phenylurea;5-N-(4-aminocyclohexyl)-3,6-dibromopyrazolo[1,5-a]pyrimidine-5,7-diamine;5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-nitropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 1-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-phenylurea;5-N-(4-aminocyclohexyl)-3,6-dibromopyrazolo[1,5-a]pyrimidine-5,7-diamine;5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-nitropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine (CID 157330834) is 1-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-phenylurea;5-N-(4-aminocyclohexyl)-3,6-dibromopyrazolo[1,5-a]pyrimidine-5,7-diamine;5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-nitropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 1-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-phenylurea;5-N-(4-aminocyclohexyl)-3,6-dibromopyrazolo[1,5-a]pyrimidine-5,7-diamine;5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-nitropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 1-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-phenylurea;5-N-(4-aminocyclohexyl)-3,6-dibromopyrazolo[1,5-a]pyrimidine-5,7-diamine;5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-nitropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine is Nc1c(Br)c(N2CC[C@@H](N)C2)nc2c(Br)cnn12.Nc1c(Br)c(N2CC[C@H](N)C2)nc2c(Br)cnn12.Nc1c(Br)c(N2CC[C@H](N)C2)nc2c([N+](=O)[O-])cnn12.Nc1c(Br)c(NC2CCC(N)CC2)nc2c(Br)cnn12.Nc1c(Cl)c(N2CC[C@@H](N)C2)nc2c(Br)cnn12.Nc1c(Cl)c(N2CC[C@H](N)C2)nc2c(Br)cnn12.Nc1cc(N2CC[C@H](N)C2)nc2c(NC(=O)Nc3ccccc3)cnn12.

What is the InChIKey of 1-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-phenylurea;5-N-(4-aminocyclohexyl)-3,6-dibromopyrazolo[1,5-a]pyrimidine-5,7-diamine;5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-nitropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is BFGQVTBCWQPNSU-PMFYLCOSSA-N. The full InChI is InChI=1S/C17H20N8O.C12H16Br2N6.2C10H12Br2N6.2C10H12BrClN6.C10H12BrN7O2/c18-11-6-7-24(10-11)15-8-14(19)25-16(23-15)13(9-20-25)22-17(26)21-12-4-2-1-3-5-12;13-8-5-17-20-10(16)9(14)11(19-12(8)20)18-7-3-1-6(15)2-4-7;4*11-6-3-15-18-8(14)7(12)10(16-9(6)18)17-2-1-5(13)4-17;11-7-8(13)17-9(6(3-14-17)18(19)20)15-10(7)16-2-1-5(12)4-16/h1-5,8-9,11H,6-7,10,18-19H2,(H2,21,22,26);5-7H,1-4,15-16H2,(H,18,19);4*3,5H,1-2,4,13-14H2;3,5H,1-2,4,12-13H2/t11-;;5*5-/m0.10100/s1.

What are the key properties of 1-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-phenylurea;5-N-(4-aminocyclohexyl)-3,6-dibromopyrazolo[1,5-a]pyrimidine-5,7-diamine;5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-nitropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine?

1-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-phenylurea;5-N-(4-aminocyclohexyl)-3,6-dibromopyrazolo[1,5-a]pyrimidine-5,7-diamine;5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-nitropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2513.99 g/mol, XLogP of 9.81, 11 rotatable bonds, 17 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-phenylurea;5-N-(4-aminocyclohexyl)-3,6-dibromopyrazolo[1,5-a]pyrimidine-5,7-diamine;5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-nitropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 157330834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).