N-[4-chloro-2-[(2S,5S)-2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpiperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S,5S)-2-[5-[(3R)-3-hydroxypyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]-5-methylpiperidine-1-carbonyl]phenyl]methanesulfonamide;(3R)-pyrrolidin-3-ol;hydrochloride

C50H64Cl4N12O8S2 — CID 160735222

About N-[4-chloro-2-[(2S,5S)-2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpiperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S,5S)-2-[5-[(3R)-3-hydroxypyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]-5-methylpiperidine-1-carbonyl]phenyl]methanesulfonamide;(3R)-pyrrolidin-3-ol;hydrochloride

N-[4-chloro-2-[(2S,5S)-2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpiperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S,5S)-2-[5-[(3R)-3-hydroxypyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]-5-methylpiperidine-1-carbonyl]phenyl]methanesulfonamide;(3R)-pyrrolidin-3-ol;hydrochloride (PubChem CID 160735222) has the molecular formula C50H64Cl4N12O8S2 and a molecular weight of 1167.08 g/mol. Its IUPAC name is N-[4-chloro-2-[(2S,5S)-2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpiperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S,5S)-2-[5-[(3R)-3-hydroxypyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]-5-methylpiperidine-1-carbonyl]phenyl]methanesulfonamide;(3R)-pyrrolidin-3-ol;hydrochloride.

Molecular Properties

• Compound Name: N-[4-chloro-2-[(2S,5S)-2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpiperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S,5S)-2-[5-[(3R)-3-hydroxypyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]-5-methylpiperidine-1-carbonyl]phenyl]methanesulfonamide;(3R)-pyrrolidin-3-ol;hydrochloride
• PubChem CID: 160735222
• Molecular Formula: C50H64Cl4N12O8S2
• Molecular Weight: 1167.08 g/mol
• Exact Mass: 1164.32
• IUPAC Name: N-[4-chloro-2-[(2S,5S)-2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpiperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S,5S)-2-[5-[(3R)-3-hydroxypyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]-5-methylpiperidine-1-carbonyl]phenyl]methanesulfonamide;(3R)-pyrrolidin-3-ol;hydrochloride
• SMILES: Cc1cn2nc([C@@H]3CC[C@H](C)CN3C(=O)c3cc(Cl)ccc3NS(C)(=O)=O)cc2nc1Cl.Cc1cn2nc([C@@H]3CC[C@H](C)CN3C(=O)c3cc(Cl)ccc3NS(C)(=O)=O)cc2nc1N1CC[C@@H](O)C1.Cl.O[C@@H]1CCNC1
• InChI: InChI=1S/C25H31ClN6O4S.C21H23Cl2N5O3S.C4H9NO.ClH/c1-15-4-7-22(31(12-15)25(34)19-10-17(26)5-6-20(19)29-37(3,35)36)21-11-23-27-24(16(2)13-32(23)28-21)30-9-8-18(33)14-30;1-12-4-7-18(17-9-19-24-20(23)13(2)11-28(19)25-17)27(10-12)21(29)15-8-14(22)5-6-16(15)26-32(3,30)31;6-4-1-2-5-3-4;/h5-6,10-11,13,15,18,22,29,33H,4,7-9,12,14H2,1-3H3;5-6,8-9,11-12,18,26H,4,7,10H2,1-3H3;4-6H,1-3H2;1H/t15-,18+,22-;12-,18-;4-;/m001./s1
• InChIKey: GPWSMXSTRGILDL-GFNBLDHGSA-N
• XLogP: 7.34
• TPSA: 249.07 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 9
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1167.08
LogP ≤ 5	7.34
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[(2S,5S)-2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpiperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S,5S)-2-[5-[(3R)-3-hydroxypyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]-5-methylpiperidine-1-carbonyl]phenyl]methanesulfonamide;(3R)-pyrrolidin-3-ol;hydrochloride?

The IUPAC name of N-[4-chloro-2-[(2S,5S)-2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpiperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S,5S)-2-[5-[(3R)-3-hydroxypyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]-5-methylpiperidine-1-carbonyl]phenyl]methanesulfonamide;(3R)-pyrrolidin-3-ol;hydrochloride (CID 160735222) is N-[4-chloro-2-[(2S,5S)-2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpiperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S,5S)-2-[5-[(3R)-3-hydroxypyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]-5-methylpiperidine-1-carbonyl]phenyl]methanesulfonamide;(3R)-pyrrolidin-3-ol;hydrochloride.

What is the SMILES notation for N-[4-chloro-2-[(2S,5S)-2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpiperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S,5S)-2-[5-[(3R)-3-hydroxypyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]-5-methylpiperidine-1-carbonyl]phenyl]methanesulfonamide;(3R)-pyrrolidin-3-ol;hydrochloride?

The canonical SMILES for N-[4-chloro-2-[(2S,5S)-2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpiperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S,5S)-2-[5-[(3R)-3-hydroxypyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]-5-methylpiperidine-1-carbonyl]phenyl]methanesulfonamide;(3R)-pyrrolidin-3-ol;hydrochloride is Cc1cn2nc([C@@H]3CC[C@H](C)CN3C(=O)c3cc(Cl)ccc3NS(C)(=O)=O)cc2nc1Cl.Cc1cn2nc([C@@H]3CC[C@H](C)CN3C(=O)c3cc(Cl)ccc3NS(C)(=O)=O)cc2nc1N1CC[C@@H](O)C1.Cl.O[C@@H]1CCNC1.

What is the InChIKey of N-[4-chloro-2-[(2S,5S)-2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpiperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S,5S)-2-[5-[(3R)-3-hydroxypyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]-5-methylpiperidine-1-carbonyl]phenyl]methanesulfonamide;(3R)-pyrrolidin-3-ol;hydrochloride?

The InChIKey is GPWSMXSTRGILDL-GFNBLDHGSA-N. The full InChI is InChI=1S/C25H31ClN6O4S.C21H23Cl2N5O3S.C4H9NO.ClH/c1-15-4-7-22(31(12-15)25(34)19-10-17(26)5-6-20(19)29-37(3,35)36)21-11-23-27-24(16(2)13-32(23)28-21)30-9-8-18(33)14-30;1-12-4-7-18(17-9-19-24-20(23)13(2)11-28(19)25-17)27(10-12)21(29)15-8-14(22)5-6-16(15)26-32(3,30)31;6-4-1-2-5-3-4;/h5-6,10-11,13,15,18,22,29,33H,4,7-9,12,14H2,1-3H3;5-6,8-9,11-12,18,26H,4,7,10H2,1-3H3;4-6H,1-3H2;1H/t15-,18+,22-;12-,18-;4-;/m001./s1.

What are the key properties of N-[4-chloro-2-[(2S,5S)-2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpiperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S,5S)-2-[5-[(3R)-3-hydroxypyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]-5-methylpiperidine-1-carbonyl]phenyl]methanesulfonamide;(3R)-pyrrolidin-3-ol;hydrochloride?

N-[4-chloro-2-[(2S,5S)-2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpiperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S,5S)-2-[5-[(3R)-3-hydroxypyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]-5-methylpiperidine-1-carbonyl]phenyl]methanesulfonamide;(3R)-pyrrolidin-3-ol;hydrochloride has a molecular weight of 1167.08 g/mol, XLogP of 7.34, 9 rotatable bonds, 5 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-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpiperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S,5S)-2-[5-[(3R)-3-hydroxypyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]-5-methylpiperidine-1-carbonyl]phenyl]methanesulfonamide;(3R)-pyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 160735222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).