4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;4-(7-amino-6-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;N-[[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-yl]methylidene]hydroxylamine;2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-2-phenylethanol;6-bromo-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C98H106Br2ClN39O5 — CID 158248284

About 4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;4-(7-amino-6-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;N-[[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-yl]methylidene]hydroxylamine;2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-2-phenylethanol;6-bromo-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;4-(7-amino-6-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;N-[[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-yl]methylidene]hydroxylamine;2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-2-phenylethanol;6-bromo-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 158248284) has the molecular formula C98H106Br2ClN39O5 and a molecular weight of 2105.45 g/mol. Its IUPAC name is 4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;4-(7-amino-6-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;N-[[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-yl]methylidene]hydroxylamine;2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-2-phenylethanol;6-bromo-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;4-(7-amino-6-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;N-[[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-yl]methylidene]hydroxylamine;2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-2-phenylethanol;6-bromo-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 158248284
• Molecular Formula: C98H106Br2ClN39O5
• Molecular Weight: 2105.45 g/mol
• Exact Mass: 2101.73
• IUPAC Name: 4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;4-(7-amino-6-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;N-[[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-yl]methylidene]hydroxylamine;2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-2-phenylethanol;6-bromo-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: N#Cc1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)co1.N#Cc1cc(-c2cnn3c(N)c(Cl)c(C4CCCNC4)nc23)co1.Nc1c(Br)c(C2CCCNC2)nc2c(-c3cn[nH]c3)cnn12.Nc1cc(C2CCCNC2)nc2c(-c3cn[nH]c3)cnn12.Nc1cc(C2CCCNC2)nc2c(-c3cnn(C(CO)c4ccccc4)c3)cnn12.Nc1cc(C2CCCNC2)nc2c(-c3coc(C=NO)c3)cnn12
• InChI: InChI=1S/C22H25N7O.C16H15BrN6O.C16H15ClN6O.C16H18N6O2.C14H16BrN7.C14H17N7/c23-21-9-19(16-7-4-8-24-10-16)27-22-18(12-26-29(21)22)17-11-25-28(13-17)20(14-30)15-5-2-1-3-6-15;2*17-13-14(9-2-1-3-20-6-9)22-16-12(7-21-23(16)15(13)19)10-4-11(5-18)24-8-10;17-15-5-14(10-2-1-3-18-6-10)21-16-13(8-19-22(15)16)11-4-12(7-20-23)24-9-11;15-11-12(8-2-1-3-17-4-8)21-14-10(9-5-18-19-6-9)7-20-22(14)13(11)16;15-13-4-12(9-2-1-3-16-5-9)20-14-11(8-19-21(13)14)10-6-17-18-7-10/h1-3,5-6,9,11-13,16,20,24,30H,4,7-8,10,14,23H2;2*4,7-9,20H,1-3,6,19H2;4-5,7-10,18,23H,1-3,6,17H2;5-8,17H,1-4,16H2,(H,18,19);4,6-9,16H,1-3,5,15H2,(H,17,18)
• InChIKey: GGJYJGAOQQFZSQ-UHFFFAOYSA-N
• XLogP: 12.41
• TPSA: 624.44 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 42
• Rotatable Bonds: 16
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2105.45
LogP ≤ 5	12.41
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;4-(7-amino-6-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;N-[[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-yl]methylidene]hydroxylamine;2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-2-phenylethanol;6-bromo-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;4-(7-amino-6-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;N-[[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-yl]methylidene]hydroxylamine;2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-2-phenylethanol;6-bromo-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 158248284) is 4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;4-(7-amino-6-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;N-[[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-yl]methylidene]hydroxylamine;2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-2-phenylethanol;6-bromo-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;4-(7-amino-6-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;N-[[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-yl]methylidene]hydroxylamine;2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-2-phenylethanol;6-bromo-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;4-(7-amino-6-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;N-[[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-yl]methylidene]hydroxylamine;2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-2-phenylethanol;6-bromo-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is N#Cc1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)co1.N#Cc1cc(-c2cnn3c(N)c(Cl)c(C4CCCNC4)nc23)co1.Nc1c(Br)c(C2CCCNC2)nc2c(-c3cn[nH]c3)cnn12.Nc1cc(C2CCCNC2)nc2c(-c3cn[nH]c3)cnn12.Nc1cc(C2CCCNC2)nc2c(-c3cnn(C(CO)c4ccccc4)c3)cnn12.Nc1cc(C2CCCNC2)nc2c(-c3coc(C=NO)c3)cnn12.

What is the InChIKey of 4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;4-(7-amino-6-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;N-[[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-yl]methylidene]hydroxylamine;2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-2-phenylethanol;6-bromo-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is GGJYJGAOQQFZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O.C16H15BrN6O.C16H15ClN6O.C16H18N6O2.C14H16BrN7.C14H17N7/c23-21-9-19(16-7-4-8-24-10-16)27-22-18(12-26-29(21)22)17-11-25-28(13-17)20(14-30)15-5-2-1-3-6-15;2*17-13-14(9-2-1-3-20-6-9)22-16-12(7-21-23(16)15(13)19)10-4-11(5-18)24-8-10;17-15-5-14(10-2-1-3-18-6-10)21-16-13(8-19-22(15)16)11-4-12(7-20-23)24-9-11;15-11-12(8-2-1-3-17-4-8)21-14-10(9-5-18-19-6-9)7-20-22(14)13(11)16;15-13-4-12(9-2-1-3-16-5-9)20-14-11(8-19-21(13)14)10-6-17-18-7-10/h1-3,5-6,9,11-13,16,20,24,30H,4,7-8,10,14,23H2;2*4,7-9,20H,1-3,6,19H2;4-5,7-10,18,23H,1-3,6,17H2;5-8,17H,1-4,16H2,(H,18,19);4,6-9,16H,1-3,5,15H2,(H,17,18).

What are the key properties of 4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;4-(7-amino-6-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;N-[[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-yl]methylidene]hydroxylamine;2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-2-phenylethanol;6-bromo-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?

4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;4-(7-amino-6-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;N-[[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-yl]methylidene]hydroxylamine;2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-2-phenylethanol;6-bromo-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2105.45 g/mol, XLogP of 12.41, 16 rotatable bonds, 16 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;4-(7-amino-6-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;N-[[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-yl]methylidene]hydroxylamine;2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-2-phenylethanol;6-bromo-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 158248284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).