N-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]acetamide;2-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]sulfanylethanol;5-[(3S)-3-aminopyrrolidin-1-yl]-3-iodopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-methylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine

C61H82IN31O2S3 — CID 162260011

About N-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]acetamide;2-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]sulfanylethanol;5-[(3S)-3-aminopyrrolidin-1-yl]-3-iodopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-methylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine

N-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]acetamide;2-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]sulfanylethanol;5-[(3S)-3-aminopyrrolidin-1-yl]-3-iodopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-methylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 162260011) has the molecular formula C61H82IN31O2S3 and a molecular weight of 1504.65 g/mol. Its IUPAC name is N-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]acetamide;2-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]sulfanylethanol;5-[(3S)-3-aminopyrrolidin-1-yl]-3-iodopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-methylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: N-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]acetamide;2-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]sulfanylethanol;5-[(3S)-3-aminopyrrolidin-1-yl]-3-iodopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-methylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 162260011
• Molecular Formula: C61H82IN31O2S3
• Molecular Weight: 1504.65 g/mol
• Exact Mass: 1503.55
• IUPAC Name: N-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]acetamide;2-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]sulfanylethanol;5-[(3S)-3-aminopyrrolidin-1-yl]-3-iodopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-methylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: CC(=O)Nc1cnn2c(N)cc(N3CC[C@H](N)C3)nc12.CSc1cnn2c(N)cc(N3CC[C@H](N)C3)nc12.Nc1cc(N2CC[C@H](N)C2)nc2c(I)cnn12.Nc1cc(N2CC[C@H](N)C2)nc2c(SCCO)cnn12.Nc1cc(N2CC[C@H](N)C2)nc2c(Sc3ccccc3)cnn12
• InChI: InChI=1S/C16H18N6S.C12H17N7O.C12H18N6OS.C11H16N6S.C10H13IN6/c17-11-6-7-21(10-11)15-8-14(18)22-16(20-15)13(9-19-22)23-12-4-2-1-3-5-12;1-7(20)16-9-5-15-19-10(14)4-11(17-12(9)19)18-3-2-8(13)6-18;13-8-1-2-17(7-8)11-5-10(14)18-12(16-11)9(6-15-18)20-4-3-19;1-18-8-5-14-17-9(13)4-10(15-11(8)17)16-3-2-7(12)6-16;11-7-4-14-17-8(13)3-9(15-10(7)17)16-2-1-6(12)5-16/h1-5,8-9,11H,6-7,10,17-18H2;4-5,8H,2-3,6,13-14H2,1H3,(H,16,20);5-6,8,19H,1-4,7,13-14H2;4-5,7H,2-3,6,12-13H2,1H3;3-4,6H,1-2,5,12-13H2/t11-;2*8-;7-;6-/m00000/s1
• InChIKey: ZZCQLQXHJKNGMR-VIPWRWKVSA-N
• XLogP: 2.77
• TPSA: 476.68 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 35
• Rotatable Bonds: 12
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1504.65
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]acetamide;2-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]sulfanylethanol;5-[(3S)-3-aminopyrrolidin-1-yl]-3-iodopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-methylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of N-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]acetamide;2-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]sulfanylethanol;5-[(3S)-3-aminopyrrolidin-1-yl]-3-iodopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-methylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine (CID 162260011) is N-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]acetamide;2-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]sulfanylethanol;5-[(3S)-3-aminopyrrolidin-1-yl]-3-iodopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-methylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for N-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]acetamide;2-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]sulfanylethanol;5-[(3S)-3-aminopyrrolidin-1-yl]-3-iodopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-methylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for N-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]acetamide;2-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]sulfanylethanol;5-[(3S)-3-aminopyrrolidin-1-yl]-3-iodopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-methylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine is CC(=O)Nc1cnn2c(N)cc(N3CC[C@H](N)C3)nc12.CSc1cnn2c(N)cc(N3CC[C@H](N)C3)nc12.Nc1cc(N2CC[C@H](N)C2)nc2c(I)cnn12.Nc1cc(N2CC[C@H](N)C2)nc2c(SCCO)cnn12.Nc1cc(N2CC[C@H](N)C2)nc2c(Sc3ccccc3)cnn12.

What is the InChIKey of N-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]acetamide;2-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]sulfanylethanol;5-[(3S)-3-aminopyrrolidin-1-yl]-3-iodopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-methylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is ZZCQLQXHJKNGMR-VIPWRWKVSA-N. The full InChI is InChI=1S/C16H18N6S.C12H17N7O.C12H18N6OS.C11H16N6S.C10H13IN6/c17-11-6-7-21(10-11)15-8-14(18)22-16(20-15)13(9-19-22)23-12-4-2-1-3-5-12;1-7(20)16-9-5-15-19-10(14)4-11(17-12(9)19)18-3-2-8(13)6-18;13-8-1-2-17(7-8)11-5-10(14)18-12(16-11)9(6-15-18)20-4-3-19;1-18-8-5-14-17-9(13)4-10(15-11(8)17)16-3-2-7(12)6-16;11-7-4-14-17-8(13)3-9(15-10(7)17)16-2-1-6(12)5-16/h1-5,8-9,11H,6-7,10,17-18H2;4-5,8H,2-3,6,13-14H2,1H3,(H,16,20);5-6,8,19H,1-4,7,13-14H2;4-5,7H,2-3,6,12-13H2,1H3;3-4,6H,1-2,5,12-13H2/t11-;2*8-;7-;6-/m00000/s1.

What are the key properties of N-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]acetamide;2-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]sulfanylethanol;5-[(3S)-3-aminopyrrolidin-1-yl]-3-iodopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-methylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine?

N-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]acetamide;2-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]sulfanylethanol;5-[(3S)-3-aminopyrrolidin-1-yl]-3-iodopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-methylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 1504.65 g/mol, XLogP of 2.77, 12 rotatable bonds, 12 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]acetamide;2-[7-amino-5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]sulfanylethanol;5-[(3S)-3-aminopyrrolidin-1-yl]-3-iodopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-methylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 162260011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).