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

C99H108Br4ClN39O7 — CID 161136670

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

2-[3-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanol;4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;N-[[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-yl]methylidene]hydroxylamine;2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-N,N-dimethylacetamide;4-(7-amino-6-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile (PubChem CID 161136670) has the molecular formula C99H108Br4ClN39O7 and a molecular weight of 2311.29 g/mol. Its IUPAC name is 2-[3-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanol;4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;N-[[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-yl]methylidene]hydroxylamine;2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-N,N-dimethylacetamide;4-(7-amino-6-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile.

Molecular Properties

• Compound Name: 2-[3-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanol;4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;N-[[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-yl]methylidene]hydroxylamine;2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-N,N-dimethylacetamide;4-(7-amino-6-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile
• PubChem CID: 161136670
• Molecular Formula: C99H108Br4ClN39O7
• Molecular Weight: 2311.29 g/mol
• Exact Mass: 2305.57
• IUPAC Name: 2-[3-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanol;4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;N-[[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-yl]methylidene]hydroxylamine;2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-N,N-dimethylacetamide;4-(7-amino-6-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile
• SMILES: CN(C)C(=O)Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1.Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCN(CCO)C4)nc23)cn1.N#Cc1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)co1.N#Cc1cc(-c2cnn3c(N)c(Cl)c(C4CCCNC4)nc23)co1.N#Cc1cc(-c2cnn3c(N)cc(C4CCCNC4)nc23)co1.Nc1c(Br)c(C2CCCNC2)nc2c(-c3coc(C=NO)c3)cnn12
• InChI: InChI=1S/C18H23BrN8O.C17H22BrN7O.C16H17BrN6O2.C16H15BrN6O.C16H15ClN6O.C16H16N6O/c1-25(2)14(28)10-26-9-12(7-22-26)13-8-23-27-17(20)15(19)16(24-18(13)27)11-4-3-5-21-6-11;1-23-9-12(7-20-23)13-8-21-25-16(19)14(18)15(22-17(13)25)11-3-2-4-24(10-11)5-6-26;17-13-14(9-2-1-3-19-5-9)22-16-12(7-20-23(16)15(13)18)10-4-11(6-21-24)25-8-10;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;17-6-12-4-11(9-23-12)13-8-20-22-15(18)5-14(21-16(13)22)10-2-1-3-19-7-10/h7-9,11,21H,3-6,10,20H2,1-2H3;7-9,11,26H,2-6,10,19H2,1H3;4,6-9,19,24H,1-3,5,18H2;2*4,7-9,20H,1-3,6,19H2;4-5,8-10,19H,1-3,7,18H2
• InChIKey: UMWSSDFRDUZMOP-UHFFFAOYSA-N
• XLogP: 12.89
• TPSA: 633.35 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 45
• Rotatable Bonds: 17
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2311.29
LogP ≤ 5	12.89
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	45

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

The IUPAC name of 2-[3-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanol;4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;N-[[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-yl]methylidene]hydroxylamine;2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-N,N-dimethylacetamide;4-(7-amino-6-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile (CID 161136670) is 2-[3-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanol;4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;N-[[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-yl]methylidene]hydroxylamine;2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-N,N-dimethylacetamide;4-(7-amino-6-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile.

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

The canonical SMILES for 2-[3-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanol;4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;N-[[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-yl]methylidene]hydroxylamine;2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-N,N-dimethylacetamide;4-(7-amino-6-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile is CN(C)C(=O)Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1.Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCN(CCO)C4)nc23)cn1.N#Cc1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)co1.N#Cc1cc(-c2cnn3c(N)c(Cl)c(C4CCCNC4)nc23)co1.N#Cc1cc(-c2cnn3c(N)cc(C4CCCNC4)nc23)co1.Nc1c(Br)c(C2CCCNC2)nc2c(-c3coc(C=NO)c3)cnn12.

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

The InChIKey is UMWSSDFRDUZMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN8O.C17H22BrN7O.C16H17BrN6O2.C16H15BrN6O.C16H15ClN6O.C16H16N6O/c1-25(2)14(28)10-26-9-12(7-22-26)13-8-23-27-17(20)15(19)16(24-18(13)27)11-4-3-5-21-6-11;1-23-9-12(7-20-23)13-8-21-25-16(19)14(18)15(22-17(13)25)11-3-2-4-24(10-11)5-6-26;17-13-14(9-2-1-3-19-5-9)22-16-12(7-20-23(16)15(13)18)10-4-11(6-21-24)25-8-10;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;17-6-12-4-11(9-23-12)13-8-20-22-15(18)5-14(21-16(13)22)10-2-1-3-19-7-10/h7-9,11,21H,3-6,10,20H2,1-2H3;7-9,11,26H,2-6,10,19H2,1H3;4,6-9,19,24H,1-3,5,18H2;2*4,7-9,20H,1-3,6,19H2;4-5,8-10,19H,1-3,7,18H2.

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

2-[3-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanol;4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;N-[[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-yl]methylidene]hydroxylamine;2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-N,N-dimethylacetamide;4-(7-amino-6-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile has a molecular weight of 2311.29 g/mol, XLogP of 12.89, 17 rotatable bonds, 13 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanol;4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;N-[[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-yl]methylidene]hydroxylamine;2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-N,N-dimethylacetamide;4-(7-amino-6-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile is sourced from PubChem (CID 161136670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).