N-[2-[(2S)-2-[7-[(3S)-3-aminopyrrolidin-1-yl]-5-(azetidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-3-methylphenyl]methanesulfonamide;tert-butyl 4-[2-[(2S)-1-[5-chloro-2-(methanesulfonamido)benzoyl]piperidin-2-yl]-5-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate;N-[4-chloro-2-[(2S)-2-[6-methyl-5-(3-methylazetidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]acetamide;N-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]acetamide

C132H163Cl4N33O15S3 — CID 160669233

About N-[2-[(2S)-2-[7-[(3S)-3-aminopyrrolidin-1-yl]-5-(azetidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-3-methylphenyl]methanesulfonamide;tert-butyl 4-[2-[(2S)-1-[5-chloro-2-(methanesulfonamido)benzoyl]piperidin-2-yl]-5-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate;N-[4-chloro-2-[(2S)-2-[6-methyl-5-(3-methylazetidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]acetamide;N-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]acetamide

N-[2-[(2S)-2-[7-[(3S)-3-aminopyrrolidin-1-yl]-5-(azetidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-3-methylphenyl]methanesulfonamide;tert-butyl 4-[2-[(2S)-1-[5-chloro-2-(methanesulfonamido)benzoyl]piperidin-2-yl]-5-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate;N-[4-chloro-2-[(2S)-2-[6-methyl-5-(3-methylazetidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]acetamide;N-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]acetamide (PubChem CID 160669233) has the molecular formula C132H163Cl4N33O15S3 and a molecular weight of 2689.98 g/mol. Its IUPAC name is N-[2-[(2S)-2-[7-[(3S)-3-aminopyrrolidin-1-yl]-5-(azetidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-3-methylphenyl]methanesulfonamide;tert-butyl 4-[2-[(2S)-1-[5-chloro-2-(methanesulfonamido)benzoyl]piperidin-2-yl]-5-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate;N-[4-chloro-2-[(2S)-2-[6-methyl-5-(3-methylazetidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]acetamide;N-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[2-[(2S)-2-[7-[(3S)-3-aminopyrrolidin-1-yl]-5-(azetidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-3-methylphenyl]methanesulfonamide;tert-butyl 4-[2-[(2S)-1-[5-chloro-2-(methanesulfonamido)benzoyl]piperidin-2-yl]-5-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate;N-[4-chloro-2-[(2S)-2-[6-methyl-5-(3-methylazetidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]acetamide;N-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]acetamide
• PubChem CID: 160669233
• Molecular Formula: C132H163Cl4N33O15S3
• Molecular Weight: 2689.98 g/mol
• Exact Mass: 2686.09
• IUPAC Name: N-[2-[(2S)-2-[7-[(3S)-3-aminopyrrolidin-1-yl]-5-(azetidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-3-methylphenyl]methanesulfonamide;tert-butyl 4-[2-[(2S)-1-[5-chloro-2-(methanesulfonamido)benzoyl]piperidin-2-yl]-5-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate;N-[4-chloro-2-[(2S)-2-[6-methyl-5-(3-methylazetidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]acetamide;N-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]acetamide
• SMILES: CC(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1cc2nc(N3CC(C)C3)c(C)cn2n1.CC(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1cc2nc(N3CC[C@H](C)C3)c(C)cn2n1.CC(C)(C)OC(=O)N1CCN(c2cc(C3CC3)nc3cc([C@@H]4CCCCN4C(=O)c4cc(Cl)ccc4NS(C)(=O)=O)nn23)CC1.CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1cc2nc(N3CCC3)cc(N3CC[C@H](N)C3)n2n1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3c(C)cccc3NS(C)(=O)=O)cc2nc1N1CCC1
• InChI: InChI=1S/C31H40ClN7O5S.C26H33ClN8O3S.C26H31ClN6O2.C25H29ClN6O2.C24H30N6O3S/c1-31(2,3)44-30(41)37-15-13-36(14-16-37)28-19-24(20-8-9-20)33-27-18-25(34-39(27)28)26-7-5-6-12-38(26)29(40)22-17-21(32)10-11-23(22)35-45(4,42)43;1-39(37,38)31-20-7-6-17(27)13-19(20)26(36)34-11-3-2-5-22(34)21-14-24-29-23(32-9-4-10-32)15-25(35(24)30-21)33-12-8-18(28)16-33;1-16-9-11-31(14-16)25-17(2)15-33-24(29-25)13-22(30-33)23-6-4-5-10-32(23)26(35)20-12-19(27)7-8-21(20)28-18(3)34;1-15-12-30(13-15)24-16(2)14-32-23(28-24)11-21(29-32)22-6-4-5-9-31(22)25(34)19-10-18(26)7-8-20(19)27-17(3)33;1-16-8-6-9-18(27-34(3,32)33)22(16)24(31)29-13-5-4-10-20(29)19-14-21-25-23(28-11-7-12-28)17(2)15-30(21)26-19/h10-11,17-20,26,35H,5-9,12-16H2,1-4H3;6-7,13-15,18,22,31H,2-5,8-12,16,28H2,1H3;7-8,12-13,15-16,23H,4-6,9-11,14H2,1-3H3,(H,28,34);7-8,10-11,14-15,22H,4-6,9,12-13H2,1-3H3,(H,27,33);6,8-9,14-15,20,27H,4-5,7,10-13H2,1-3H3/t26-;18-,22-;16-,23-;22-;20-/m00000/s1
• InChIKey: RMSBIHJFBONAFI-CABMWJLSSA-N
• XLogP: 20.56
• TPSA: 524.21 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 37
• Rotatable Bonds: 25
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2689.98
LogP ≤ 5	20.56
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-2-[7-[(3S)-3-aminopyrrolidin-1-yl]-5-(azetidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-3-methylphenyl]methanesulfonamide;tert-butyl 4-[2-[(2S)-1-[5-chloro-2-(methanesulfonamido)benzoyl]piperidin-2-yl]-5-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate;N-[4-chloro-2-[(2S)-2-[6-methyl-5-(3-methylazetidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]acetamide;N-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]acetamide?

The IUPAC name of N-[2-[(2S)-2-[7-[(3S)-3-aminopyrrolidin-1-yl]-5-(azetidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-3-methylphenyl]methanesulfonamide;tert-butyl 4-[2-[(2S)-1-[5-chloro-2-(methanesulfonamido)benzoyl]piperidin-2-yl]-5-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate;N-[4-chloro-2-[(2S)-2-[6-methyl-5-(3-methylazetidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]acetamide;N-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]acetamide (CID 160669233) is N-[2-[(2S)-2-[7-[(3S)-3-aminopyrrolidin-1-yl]-5-(azetidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-3-methylphenyl]methanesulfonamide;tert-butyl 4-[2-[(2S)-1-[5-chloro-2-(methanesulfonamido)benzoyl]piperidin-2-yl]-5-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate;N-[4-chloro-2-[(2S)-2-[6-methyl-5-(3-methylazetidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]acetamide;N-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]acetamide.

What is the SMILES notation for N-[2-[(2S)-2-[7-[(3S)-3-aminopyrrolidin-1-yl]-5-(azetidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-3-methylphenyl]methanesulfonamide;tert-butyl 4-[2-[(2S)-1-[5-chloro-2-(methanesulfonamido)benzoyl]piperidin-2-yl]-5-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate;N-[4-chloro-2-[(2S)-2-[6-methyl-5-(3-methylazetidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]acetamide;N-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]acetamide?

The canonical SMILES for N-[2-[(2S)-2-[7-[(3S)-3-aminopyrrolidin-1-yl]-5-(azetidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-3-methylphenyl]methanesulfonamide;tert-butyl 4-[2-[(2S)-1-[5-chloro-2-(methanesulfonamido)benzoyl]piperidin-2-yl]-5-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate;N-[4-chloro-2-[(2S)-2-[6-methyl-5-(3-methylazetidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]acetamide;N-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]acetamide is CC(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1cc2nc(N3CC(C)C3)c(C)cn2n1.CC(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1cc2nc(N3CC[C@H](C)C3)c(C)cn2n1.CC(C)(C)OC(=O)N1CCN(c2cc(C3CC3)nc3cc([C@@H]4CCCCN4C(=O)c4cc(Cl)ccc4NS(C)(=O)=O)nn23)CC1.CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1cc2nc(N3CCC3)cc(N3CC[C@H](N)C3)n2n1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3c(C)cccc3NS(C)(=O)=O)cc2nc1N1CCC1.

What is the InChIKey of N-[2-[(2S)-2-[7-[(3S)-3-aminopyrrolidin-1-yl]-5-(azetidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-3-methylphenyl]methanesulfonamide;tert-butyl 4-[2-[(2S)-1-[5-chloro-2-(methanesulfonamido)benzoyl]piperidin-2-yl]-5-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate;N-[4-chloro-2-[(2S)-2-[6-methyl-5-(3-methylazetidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]acetamide;N-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]acetamide?

The InChIKey is RMSBIHJFBONAFI-CABMWJLSSA-N. The full InChI is InChI=1S/C31H40ClN7O5S.C26H33ClN8O3S.C26H31ClN6O2.C25H29ClN6O2.C24H30N6O3S/c1-31(2,3)44-30(41)37-15-13-36(14-16-37)28-19-24(20-8-9-20)33-27-18-25(34-39(27)28)26-7-5-6-12-38(26)29(40)22-17-21(32)10-11-23(22)35-45(4,42)43;1-39(37,38)31-20-7-6-17(27)13-19(20)26(36)34-11-3-2-5-22(34)21-14-24-29-23(32-9-4-10-32)15-25(35(24)30-21)33-12-8-18(28)16-33;1-16-9-11-31(14-16)25-17(2)15-33-24(29-25)13-22(30-33)23-6-4-5-10-32(23)26(35)20-12-19(27)7-8-21(20)28-18(3)34;1-15-12-30(13-15)24-16(2)14-32-23(28-24)11-21(29-32)22-6-4-5-9-31(22)25(34)19-10-18(26)7-8-20(19)27-17(3)33;1-16-8-6-9-18(27-34(3,32)33)22(16)24(31)29-13-5-4-10-20(29)19-14-21-25-23(28-11-7-12-28)17(2)15-30(21)26-19/h10-11,17-20,26,35H,5-9,12-16H2,1-4H3;6-7,13-15,18,22,31H,2-5,8-12,16,28H2,1H3;7-8,12-13,15-16,23H,4-6,9-11,14H2,1-3H3,(H,28,34);7-8,10-11,14-15,22H,4-6,9,12-13H2,1-3H3,(H,27,33);6,8-9,14-15,20,27H,4-5,7,10-13H2,1-3H3/t26-;18-,22-;16-,23-;22-;20-/m00000/s1.

What are the key properties of N-[2-[(2S)-2-[7-[(3S)-3-aminopyrrolidin-1-yl]-5-(azetidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-3-methylphenyl]methanesulfonamide;tert-butyl 4-[2-[(2S)-1-[5-chloro-2-(methanesulfonamido)benzoyl]piperidin-2-yl]-5-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate;N-[4-chloro-2-[(2S)-2-[6-methyl-5-(3-methylazetidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]acetamide;N-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]acetamide?

N-[2-[(2S)-2-[7-[(3S)-3-aminopyrrolidin-1-yl]-5-(azetidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-3-methylphenyl]methanesulfonamide;tert-butyl 4-[2-[(2S)-1-[5-chloro-2-(methanesulfonamido)benzoyl]piperidin-2-yl]-5-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate;N-[4-chloro-2-[(2S)-2-[6-methyl-5-(3-methylazetidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]acetamide;N-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]acetamide has a molecular weight of 2689.98 g/mol, XLogP of 20.56, 25 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(2S)-2-[7-[(3S)-3-aminopyrrolidin-1-yl]-5-(azetidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-3-methylphenyl]methanesulfonamide;tert-butyl 4-[2-[(2S)-1-[5-chloro-2-(methanesulfonamido)benzoyl]piperidin-2-yl]-5-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate;N-[4-chloro-2-[(2S)-2-[6-methyl-5-(3-methylazetidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]acetamide;N-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 160669233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).