N-[2-[2-[5-(2-aminopropylamino)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide

C23H30ClN7O3S — CID 78121870

About N-[2-[2-[5-(2-aminopropylamino)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide

N-[2-[2-[5-(2-aminopropylamino)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide (PubChem CID 78121870) has the molecular formula C23H30ClN7O3S and a molecular weight of 520.06 g/mol. Its IUPAC name is N-[2-[2-[5-(2-aminopropylamino)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[2-[2-[5-(2-aminopropylamino)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide
• PubChem CID: 78121870
• Molecular Formula: C23H30ClN7O3S
• Molecular Weight: 520.06 g/mol
• Exact Mass: 519.18
• IUPAC Name: N-[2-[2-[5-(2-aminopropylamino)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide
• SMILES: Cc1cn2nc(C3CCCCN3C(=O)c3cc(Cl)ccc3NS(C)(=O)=O)cc2nc1NCC(C)N
• InChI: InChI=1S/C23H30ClN7O3S/c1-14-13-31-21(27-22(14)26-12-15(2)25)11-19(28-31)20-6-4-5-9-30(20)23(32)17-10-16(24)7-8-18(17)29-35(3,33)34/h7-8,10-11,13,15,20,29H,4-6,9,12,25H2,1-3H3,(H,26,27)
• InChIKey: UHONAHPJEWXIHL-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 134.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.06
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[5-(2-aminopropylamino)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide?

The IUPAC name of N-[2-[2-[5-(2-aminopropylamino)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide (CID 78121870) is N-[2-[2-[5-(2-aminopropylamino)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide.

What is the SMILES notation for N-[2-[2-[5-(2-aminopropylamino)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide?

The canonical SMILES for N-[2-[2-[5-(2-aminopropylamino)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide is Cc1cn2nc(C3CCCCN3C(=O)c3cc(Cl)ccc3NS(C)(=O)=O)cc2nc1NCC(C)N.

What is the InChIKey of N-[2-[2-[5-(2-aminopropylamino)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide?

The InChIKey is UHONAHPJEWXIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN7O3S/c1-14-13-31-21(27-22(14)26-12-15(2)25)11-19(28-31)20-6-4-5-9-30(20)23(32)17-10-16(24)7-8-18(17)29-35(3,33)34/h7-8,10-11,13,15,20,29H,4-6,9,12,25H2,1-3H3,(H,26,27).

What are the key properties of N-[2-[2-[5-(2-aminopropylamino)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide?

N-[2-[2-[5-(2-aminopropylamino)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide has a molecular weight of 520.06 g/mol, XLogP of 3.19, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[5-(2-aminopropylamino)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide is sourced from PubChem (CID 78121870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).