N-[2-[(2S)-2-[7-(dimethylamino)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;2-(methanesulfonamido)-5-methylbenzoic acid;N,N,5,6-tetramethyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine

C48H66N12O7S2 — CID 158331459

About N-[2-[(2S)-2-[7-(dimethylamino)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;2-(methanesulfonamido)-5-methylbenzoic acid;N,N,5,6-tetramethyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine

N-[2-[(2S)-2-[7-(dimethylamino)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;2-(methanesulfonamido)-5-methylbenzoic acid;N,N,5,6-tetramethyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 158331459) has the molecular formula C48H66N12O7S2 and a molecular weight of 987.27 g/mol. Its IUPAC name is N-[2-[(2S)-2-[7-(dimethylamino)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;2-(methanesulfonamido)-5-methylbenzoic acid;N,N,5,6-tetramethyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: N-[2-[(2S)-2-[7-(dimethylamino)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;2-(methanesulfonamido)-5-methylbenzoic acid;N,N,5,6-tetramethyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 158331459
• Molecular Formula: C48H66N12O7S2
• Molecular Weight: 987.27 g/mol
• Exact Mass: 986.46
• IUPAC Name: N-[2-[(2S)-2-[7-(dimethylamino)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;2-(methanesulfonamido)-5-methylbenzoic acid;N,N,5,6-tetramethyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: Cc1ccc(NS(C)(=O)=O)c(C(=O)N2CCCC[C@H]2c2cc3nc(C)c(C)c(N(C)C)n3n2)c1.Cc1ccc(NS(C)(=O)=O)c(C(=O)O)c1.Cc1nc2cc([C@@H]3CCCCN3)nn2c(N(C)C)c1C
• InChI: InChI=1S/C24H32N6O3S.C15H23N5.C9H11NO4S/c1-15-10-11-19(27-34(6,32)33)18(13-15)24(31)29-12-8-7-9-21(29)20-14-22-25-17(3)16(2)23(28(4)5)30(22)26-20;1-10-11(2)17-14-9-13(12-7-5-6-8-16-12)18-20(14)15(10)19(3)4;1-6-3-4-8(10-15(2,13)14)7(5-6)9(11)12/h10-11,13-14,21,27H,7-9,12H2,1-6H3;9,12,16H,5-8H2,1-4H3;3-5,10H,1-2H3,(H,11,12)/t21-;12-;/m00./s1
• InChIKey: GQBHDWVAJVHPFD-XSDXBZSRSA-N
• XLogP: 6.75
• TPSA: 228.84 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	987.27
LogP ≤ 5	6.75
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-2-[7-(dimethylamino)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;2-(methanesulfonamido)-5-methylbenzoic acid;N,N,5,6-tetramethyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of N-[2-[(2S)-2-[7-(dimethylamino)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;2-(methanesulfonamido)-5-methylbenzoic acid;N,N,5,6-tetramethyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 158331459) is N-[2-[(2S)-2-[7-(dimethylamino)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;2-(methanesulfonamido)-5-methylbenzoic acid;N,N,5,6-tetramethyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for N-[2-[(2S)-2-[7-(dimethylamino)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;2-(methanesulfonamido)-5-methylbenzoic acid;N,N,5,6-tetramethyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for N-[2-[(2S)-2-[7-(dimethylamino)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;2-(methanesulfonamido)-5-methylbenzoic acid;N,N,5,6-tetramethyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine is Cc1ccc(NS(C)(=O)=O)c(C(=O)N2CCCC[C@H]2c2cc3nc(C)c(C)c(N(C)C)n3n2)c1.Cc1ccc(NS(C)(=O)=O)c(C(=O)O)c1.Cc1nc2cc([C@@H]3CCCCN3)nn2c(N(C)C)c1C.

What is the InChIKey of N-[2-[(2S)-2-[7-(dimethylamino)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;2-(methanesulfonamido)-5-methylbenzoic acid;N,N,5,6-tetramethyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is GQBHDWVAJVHPFD-XSDXBZSRSA-N. The full InChI is InChI=1S/C24H32N6O3S.C15H23N5.C9H11NO4S/c1-15-10-11-19(27-34(6,32)33)18(13-15)24(31)29-12-8-7-9-21(29)20-14-22-25-17(3)16(2)23(28(4)5)30(22)26-20;1-10-11(2)17-14-9-13(12-7-5-6-8-16-12)18-20(14)15(10)19(3)4;1-6-3-4-8(10-15(2,13)14)7(5-6)9(11)12/h10-11,13-14,21,27H,7-9,12H2,1-6H3;9,12,16H,5-8H2,1-4H3;3-5,10H,1-2H3,(H,11,12)/t21-;12-;/m00./s1.

What are the key properties of N-[2-[(2S)-2-[7-(dimethylamino)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;2-(methanesulfonamido)-5-methylbenzoic acid;N,N,5,6-tetramethyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine?

N-[2-[(2S)-2-[7-(dimethylamino)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;2-(methanesulfonamido)-5-methylbenzoic acid;N,N,5,6-tetramethyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 987.27 g/mol, XLogP of 6.75, 10 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(2S)-2-[7-(dimethylamino)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;2-(methanesulfonamido)-5-methylbenzoic acid;N,N,5,6-tetramethyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 158331459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).