N-[4-chloro-2-[(2S,5S)-2-(5-chloro-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpiperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S,5S)-2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpiperidine-1-carbonyl]phenyl]methanesulfonamide;morpholine

C48H57Cl5N12O8S2 — CID 158561771

About N-[4-chloro-2-[(2S,5S)-2-(5-chloro-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpiperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S,5S)-2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpiperidine-1-carbonyl]phenyl]methanesulfonamide;morpholine

N-[4-chloro-2-[(2S,5S)-2-(5-chloro-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpiperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S,5S)-2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpiperidine-1-carbonyl]phenyl]methanesulfonamide;morpholine (PubChem CID 158561771) has the molecular formula C48H57Cl5N12O8S2 and a molecular weight of 1171.46 g/mol. Its IUPAC name is N-[4-chloro-2-[(2S,5S)-2-(5-chloro-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpiperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S,5S)-2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpiperidine-1-carbonyl]phenyl]methanesulfonamide;morpholine.

Molecular Properties

• Compound Name: N-[4-chloro-2-[(2S,5S)-2-(5-chloro-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpiperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S,5S)-2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpiperidine-1-carbonyl]phenyl]methanesulfonamide;morpholine
• PubChem CID: 158561771
• Molecular Formula: C48H57Cl5N12O8S2
• Molecular Weight: 1171.46 g/mol
• Exact Mass: 1168.23
• IUPAC Name: N-[4-chloro-2-[(2S,5S)-2-(5-chloro-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpiperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S,5S)-2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpiperidine-1-carbonyl]phenyl]methanesulfonamide;morpholine
• SMILES: C1COCCN1.C[C@H]1CC[C@@H](c2cc3nc(Cl)cc(Cl)n3n2)N(C(=O)c2cc(Cl)ccc2NS(C)(=O)=O)C1.C[C@H]1CC[C@@H](c2cc3nc(Cl)cc(N4CCOCC4)n3n2)N(C(=O)c2cc(Cl)ccc2NS(C)(=O)=O)C1
• InChI: InChI=1S/C24H28Cl2N6O4S.C20H20Cl3N5O3S.C4H9NO/c1-15-3-6-20(31(14-15)24(33)17-11-16(25)4-5-18(17)29-37(2,34)35)19-12-22-27-21(26)13-23(32(22)28-19)30-7-9-36-10-8-30;1-11-3-6-16(15-8-19-24-17(22)9-18(23)28(19)25-15)27(10-11)20(29)13-7-12(21)4-5-14(13)26-32(2,30)31;1-3-6-4-2-5-1/h4-5,11-13,15,20,29H,3,6-10,14H2,1-2H3;4-5,7-9,11,16,26H,3,6,10H2,1-2H3;5H,1-4H2/t15-,20-;11-,16-;/m00./s1
• InChIKey: HQYYFWHGTSRNKD-MBEXHFBXSA-N
• XLogP: 8.14
• TPSA: 227.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 9
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1171.46
LogP ≤ 5	8.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[(2S,5S)-2-(5-chloro-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpiperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S,5S)-2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpiperidine-1-carbonyl]phenyl]methanesulfonamide;morpholine?

The IUPAC name of N-[4-chloro-2-[(2S,5S)-2-(5-chloro-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpiperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S,5S)-2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpiperidine-1-carbonyl]phenyl]methanesulfonamide;morpholine (CID 158561771) is N-[4-chloro-2-[(2S,5S)-2-(5-chloro-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpiperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S,5S)-2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpiperidine-1-carbonyl]phenyl]methanesulfonamide;morpholine.

What is the SMILES notation for N-[4-chloro-2-[(2S,5S)-2-(5-chloro-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpiperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S,5S)-2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpiperidine-1-carbonyl]phenyl]methanesulfonamide;morpholine?

The canonical SMILES for N-[4-chloro-2-[(2S,5S)-2-(5-chloro-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpiperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S,5S)-2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpiperidine-1-carbonyl]phenyl]methanesulfonamide;morpholine is C1COCCN1.C[C@H]1CC[C@@H](c2cc3nc(Cl)cc(Cl)n3n2)N(C(=O)c2cc(Cl)ccc2NS(C)(=O)=O)C1.C[C@H]1CC[C@@H](c2cc3nc(Cl)cc(N4CCOCC4)n3n2)N(C(=O)c2cc(Cl)ccc2NS(C)(=O)=O)C1.

What is the InChIKey of N-[4-chloro-2-[(2S,5S)-2-(5-chloro-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpiperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S,5S)-2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpiperidine-1-carbonyl]phenyl]methanesulfonamide;morpholine?

The InChIKey is HQYYFWHGTSRNKD-MBEXHFBXSA-N. The full InChI is InChI=1S/C24H28Cl2N6O4S.C20H20Cl3N5O3S.C4H9NO/c1-15-3-6-20(31(14-15)24(33)17-11-16(25)4-5-18(17)29-37(2,34)35)19-12-22-27-21(26)13-23(32(22)28-19)30-7-9-36-10-8-30;1-11-3-6-16(15-8-19-24-17(22)9-18(23)28(19)25-15)27(10-11)20(29)13-7-12(21)4-5-14(13)26-32(2,30)31;1-3-6-4-2-5-1/h4-5,11-13,15,20,29H,3,6-10,14H2,1-2H3;4-5,7-9,11,16,26H,3,6,10H2,1-2H3;5H,1-4H2/t15-,20-;11-,16-;/m00./s1.

What are the key properties of N-[4-chloro-2-[(2S,5S)-2-(5-chloro-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpiperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S,5S)-2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpiperidine-1-carbonyl]phenyl]methanesulfonamide;morpholine?

N-[4-chloro-2-[(2S,5S)-2-(5-chloro-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpiperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S,5S)-2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpiperidine-1-carbonyl]phenyl]methanesulfonamide;morpholine has a molecular weight of 1171.46 g/mol, XLogP of 8.14, 9 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-chloro-2-[(2S,5S)-2-(5-chloro-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpiperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S,5S)-2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpiperidine-1-carbonyl]phenyl]methanesulfonamide;morpholine is sourced from PubChem (CID 158561771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).