(2-amino-5-chlorophenyl)-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone;N-[2-[(2S)-2-[7-(azetidin-1-yl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-fluorophenyl]-N-methylmethanesulfonamide;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-methylphenyl]methanesulfonamide;methane

C98H126Cl2FN21O10S3 — CID 157257537

About (2-amino-5-chlorophenyl)-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone;N-[2-[(2S)-2-[7-(azetidin-1-yl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-fluorophenyl]-N-methylmethanesulfonamide;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-methylphenyl]methanesulfonamide;methane

(2-amino-5-chlorophenyl)-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone;N-[2-[(2S)-2-[7-(azetidin-1-yl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-fluorophenyl]-N-methylmethanesulfonamide;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-methylphenyl]methanesulfonamide;methane (PubChem CID 157257537) has the molecular formula C98H126Cl2FN21O10S3 and a molecular weight of 1944.33 g/mol. Its IUPAC name is (2-amino-5-chlorophenyl)-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone;N-[2-[(2S)-2-[7-(azetidin-1-yl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-fluorophenyl]-N-methylmethanesulfonamide;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-methylphenyl]methanesulfonamide;methane.

Molecular Properties

• Compound Name: (2-amino-5-chlorophenyl)-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone;N-[2-[(2S)-2-[7-(azetidin-1-yl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-fluorophenyl]-N-methylmethanesulfonamide;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-methylphenyl]methanesulfonamide;methane
• PubChem CID: 157257537
• Molecular Formula: C98H126Cl2FN21O10S3
• Molecular Weight: 1944.33 g/mol
• Exact Mass: 1941.85
• IUPAC Name: (2-amino-5-chlorophenyl)-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone;N-[2-[(2S)-2-[7-(azetidin-1-yl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-fluorophenyl]-N-methylmethanesulfonamide;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-methylphenyl]methanesulfonamide;methane
• SMILES: C.C.C.C.Cc1cc(C2CC2)nc2cc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3N)nn12.Cc1cc(C2CC2)nc2cc([C@@H]3CCCCN3C(=O)c3cc(F)ccc3N(C)S(C)(=O)=O)nn12.Cc1ccc(C(=O)N2CCCC[C@H]2c2cc3nc(C4CC4)cc(C)n3n2)c(NS(C)(=O)=O)c1.Cc1nc2cc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3NS(C)(=O)=O)nn2c(N2CCC2)c1C
• InChI: InChI=1S/C24H29ClN6O3S.C24H28FN5O3S.C24H29N5O3S.C22H24ClN5O.4CH4/c1-15-16(2)26-22-14-20(27-31(22)23(15)29-10-6-11-29)21-7-4-5-12-30(21)24(32)18-13-17(25)8-9-19(18)28-35(3,33)34;1-15-12-19(16-7-8-16)26-23-14-20(27-30(15)23)22-6-4-5-11-29(22)24(31)18-13-17(25)9-10-21(18)28(2)34(3,32)33;1-15-7-10-18(20(12-15)27-33(3,31)32)24(30)28-11-5-4-6-22(28)21-14-23-25-19(17-8-9-17)13-16(2)29(23)26-21;1-13-10-18(14-5-6-14)25-21-12-19(26-28(13)21)20-4-2-3-9-27(20)22(29)16-11-15(23)7-8-17(16)24;;;;/h8-9,13-14,21,28H,4-7,10-12H2,1-3H3;9-10,12-14,16,22H,4-8,11H2,1-3H3;7,10,12-14,17,22,27H,4-6,8-9,11H2,1-3H3;7-8,10-12,14,20H,2-6,9,24H2,1H3;4*1H4/t21-;2*22-;20-;;;;/m0000..../s1
• InChIKey: AXBJDFNRQBSJFD-DKHQQLQGSA-N
• XLogP: 18.79
• TPSA: 360.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 18
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1944.33
LogP ≤ 5	18.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-chlorophenyl)-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone;N-[2-[(2S)-2-[7-(azetidin-1-yl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-fluorophenyl]-N-methylmethanesulfonamide;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-methylphenyl]methanesulfonamide;methane?

The IUPAC name of (2-amino-5-chlorophenyl)-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone;N-[2-[(2S)-2-[7-(azetidin-1-yl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-fluorophenyl]-N-methylmethanesulfonamide;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-methylphenyl]methanesulfonamide;methane (CID 157257537) is (2-amino-5-chlorophenyl)-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone;N-[2-[(2S)-2-[7-(azetidin-1-yl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-fluorophenyl]-N-methylmethanesulfonamide;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-methylphenyl]methanesulfonamide;methane.

What is the SMILES notation for (2-amino-5-chlorophenyl)-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone;N-[2-[(2S)-2-[7-(azetidin-1-yl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-fluorophenyl]-N-methylmethanesulfonamide;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-methylphenyl]methanesulfonamide;methane?

The canonical SMILES for (2-amino-5-chlorophenyl)-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone;N-[2-[(2S)-2-[7-(azetidin-1-yl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-fluorophenyl]-N-methylmethanesulfonamide;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-methylphenyl]methanesulfonamide;methane is C.C.C.C.Cc1cc(C2CC2)nc2cc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3N)nn12.Cc1cc(C2CC2)nc2cc([C@@H]3CCCCN3C(=O)c3cc(F)ccc3N(C)S(C)(=O)=O)nn12.Cc1ccc(C(=O)N2CCCC[C@H]2c2cc3nc(C4CC4)cc(C)n3n2)c(NS(C)(=O)=O)c1.Cc1nc2cc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3NS(C)(=O)=O)nn2c(N2CCC2)c1C.

What is the InChIKey of (2-amino-5-chlorophenyl)-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone;N-[2-[(2S)-2-[7-(azetidin-1-yl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-fluorophenyl]-N-methylmethanesulfonamide;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-methylphenyl]methanesulfonamide;methane?

The InChIKey is AXBJDFNRQBSJFD-DKHQQLQGSA-N. The full InChI is InChI=1S/C24H29ClN6O3S.C24H28FN5O3S.C24H29N5O3S.C22H24ClN5O.4CH4/c1-15-16(2)26-22-14-20(27-31(22)23(15)29-10-6-11-29)21-7-4-5-12-30(21)24(32)18-13-17(25)8-9-19(18)28-35(3,33)34;1-15-12-19(16-7-8-16)26-23-14-20(27-30(15)23)22-6-4-5-11-29(22)24(31)18-13-17(25)9-10-21(18)28(2)34(3,32)33;1-15-7-10-18(20(12-15)27-33(3,31)32)24(30)28-11-5-4-6-22(28)21-14-23-25-19(17-8-9-17)13-16(2)29(23)26-21;1-13-10-18(14-5-6-14)25-21-12-19(26-28(13)21)20-4-2-3-9-27(20)22(29)16-11-15(23)7-8-17(16)24;;;;/h8-9,13-14,21,28H,4-7,10-12H2,1-3H3;9-10,12-14,16,22H,4-8,11H2,1-3H3;7,10,12-14,17,22,27H,4-6,8-9,11H2,1-3H3;7-8,10-12,14,20H,2-6,9,24H2,1H3;4*1H4/t21-;2*22-;20-;;;;/m0000..../s1.

What are the key properties of (2-amino-5-chlorophenyl)-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone;N-[2-[(2S)-2-[7-(azetidin-1-yl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-fluorophenyl]-N-methylmethanesulfonamide;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-methylphenyl]methanesulfonamide;methane?

(2-amino-5-chlorophenyl)-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone;N-[2-[(2S)-2-[7-(azetidin-1-yl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-fluorophenyl]-N-methylmethanesulfonamide;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-methylphenyl]methanesulfonamide;methane has a molecular weight of 1944.33 g/mol, XLogP of 18.79, 18 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for (2-amino-5-chlorophenyl)-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone;N-[2-[(2S)-2-[7-(azetidin-1-yl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-fluorophenyl]-N-methylmethanesulfonamide;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-methylphenyl]methanesulfonamide;methane is sourced from PubChem (CID 157257537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).