N-[4-chloro-2-[(2S)-2-[5-chloro-7-(4-hydroxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;piperidin-4-ol

C48H57Cl5N12O8S2 — CID 159442307

IUPACN-[4-chloro-2-[(2S)-2-[5-chloro-7-(4-hydroxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;piperidin-4-ol
SMILESCS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1cc2nc(Cl)cc(Cl)n2n1.CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1cc2nc(Cl)cc(N3CCC(O)CC3)n2n1.OC1CCNCC1
InChIInChI=1S/C24H28Cl2N6O4S.C19H18Cl3N5O3S.C5H11NO/c1-37(35,36)29-18-6-5-15(25)12-17(18)24(34)31-9-3-2-4-20(31)19-13-22-27-21(26)14-23(32(22)28-19)30-10-7-16(33)8-11-30;1-31(29,30)25-13-6-5-11(20)8-12(13)19(28)26-7-3-2-4-15(26)14-9-18-23-16(21)10-17(22)27(18)24-14;7-5-1-3-6-4-2-5/h5-6,12-14,16,20,29,33H,2-4,7-11H2,1H3;5-6,8-10,15,25H,2-4,7H2,1H3;5-7H,1-4H2/t20-;15-;/m00./s1
InChIKeyLSIBHGORCZXQGP-DRFSBVRXSA-N
MW1171.46 g/mol
LogP7.90
Rot. Bonds9

About N-[4-chloro-2-[(2S)-2-[5-chloro-7-(4-hydroxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;piperidin-4-ol

N-[4-chloro-2-[(2S)-2-[5-chloro-7-(4-hydroxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;piperidin-4-ol (PubChem CID 159442307) has the molecular formula C48H57Cl5N12O8S2 and a molecular weight of 1171.46 g/mol. Its IUPAC name is N-[4-chloro-2-[(2S)-2-[5-chloro-7-(4-hydroxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;piperidin-4-ol.

Molecular Properties

Compound NameN-[4-chloro-2-[(2S)-2-[5-chloro-7-(4-hydroxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;piperidin-4-ol
PubChem CID159442307
Molecular FormulaC48H57Cl5N12O8S2
Molecular Weight1171.46 g/mol
Exact Mass1168.23
IUPAC NameN-[4-chloro-2-[(2S)-2-[5-chloro-7-(4-hydroxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;piperidin-4-ol
SMILESCS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1cc2nc(Cl)cc(Cl)n2n1.CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1cc2nc(Cl)cc(N3CCC(O)CC3)n2n1.OC1CCNCC1
InChIInChI=1S/C24H28Cl2N6O4S.C19H18Cl3N5O3S.C5H11NO/c1-37(35,36)29-18-6-5-15(25)12-17(18)24(34)31-9-3-2-4-20(31)19-13-22-27-21(26)14-23(32(22)28-19)30-10-7-16(33)8-11-30;1-31(29,30)25-13-6-5-11(20)8-12(13)19(28)26-7-3-2-4-15(26)14-9-18-23-16(21)10-17(22)27(18)24-14;7-5-1-3-6-4-2-5/h5-6,12-14,16,20,29,33H,2-4,7-11H2,1H3;5-6,8-10,15,25H,2-4,7H2,1H3;5-7H,1-4H2/t20-;15-;/m00./s1
InChIKeyLSIBHGORCZXQGP-DRFSBVRXSA-N
XLogP7.90
TPSA249.07 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds9
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001171.46
LogP ≤ 57.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Analyze N-[4-chloro-2-[(2S)-2-[5-chloro-7-(4-hydroxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;piperidin-4-ol with MolForge

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Related Compounds

N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(4-hydroxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide
CID 56598101
N-[4-chloro-2-[2-[5-chloro-7-[3-(trifluoromethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 123156336
N-[4-chloro-2-[(2S)-2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-[5-(3-hydroxyazetidin-1-yl)-7-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 159362375
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
N-[4-chloro-2-[(2S)-2-(5-chloro-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-[5-(3-methylazetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;3-methylazetidine
CID 160554171
N-[2-[2-[7-(3-aminopyrrolidin-1-yl)-5-(azetidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide
CID 76668362
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
CID 58029531
N-[4-chloro-2-[2-[5-(4-hydroxypiperidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 76668414
N-[2-[2-[5-(azetidin-1-yl)-7-(diazinan-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide
CID 76668198
N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(diazinan-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide
CID 58029782
N-[4-chloro-2-[(2S)-2-[7-morpholin-4-yl-5-(1,2-oxazolidin-2-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 56598377
tert-butyl N-[1-[5-(azetidin-1-yl)-2-[(2S)-1-[5-chloro-2-(methanesulfonamido)benzoyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]carbamate
CID 58029369

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[(2S)-2-[5-chloro-7-(4-hydroxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;piperidin-4-ol?
The IUPAC name of N-[4-chloro-2-[(2S)-2-[5-chloro-7-(4-hydroxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;piperidin-4-ol (CID 159442307) is N-[4-chloro-2-[(2S)-2-[5-chloro-7-(4-hydroxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;piperidin-4-ol.
What is the SMILES notation for N-[4-chloro-2-[(2S)-2-[5-chloro-7-(4-hydroxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;piperidin-4-ol?
The canonical SMILES for N-[4-chloro-2-[(2S)-2-[5-chloro-7-(4-hydroxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;piperidin-4-ol is CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1cc2nc(Cl)cc(Cl)n2n1.CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1cc2nc(Cl)cc(N3CCC(O)CC3)n2n1.OC1CCNCC1.
What is the InChIKey of N-[4-chloro-2-[(2S)-2-[5-chloro-7-(4-hydroxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;piperidin-4-ol?
The InChIKey is LSIBHGORCZXQGP-DRFSBVRXSA-N. The full InChI is InChI=1S/C24H28Cl2N6O4S.C19H18Cl3N5O3S.C5H11NO/c1-37(35,36)29-18-6-5-15(25)12-17(18)24(34)31-9-3-2-4-20(31)19-13-22-27-21(26)14-23(32(22)28-19)30-10-7-16(33)8-11-30;1-31(29,30)25-13-6-5-11(20)8-12(13)19(28)26-7-3-2-4-15(26)14-9-18-23-16(21)10-17(22)27(18)24-14;7-5-1-3-6-4-2-5/h5-6,12-14,16,20,29,33H,2-4,7-11H2,1H3;5-6,8-10,15,25H,2-4,7H2,1H3;5-7H,1-4H2/t20-;15-;/m00./s1.
What are the key properties of N-[4-chloro-2-[(2S)-2-[5-chloro-7-(4-hydroxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;piperidin-4-ol?
N-[4-chloro-2-[(2S)-2-[5-chloro-7-(4-hydroxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;piperidin-4-ol has a molecular weight of 1171.46 g/mol, XLogP of 7.90, 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)-2-[5-chloro-7-(4-hydroxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;piperidin-4-ol is sourced from PubChem (CID 159442307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).