N-[4-chloro-2-[(2S)-2-[5-(3-fluoro-4-methylpyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;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-[2-[(2S,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2R,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S,4S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;propan-2-yl 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]carbamate

C147H181Cl3FN33O20S4 — CID 159729782

IUPACN-[4-chloro-2-[(2S)-2-[5-(3-fluoro-4-methylpyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;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-[2-[(2S,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2R,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S,4S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;propan-2-yl 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]carbamate
SMILESCC(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1cc2nc(N3CC(C)C3)c(C)cn2n1.Cc1ccc(NS(C)(=O)=O)c(C(=O)N2CC[C@@H](C)C[C@@H]2c2cc3nc(C)c(C)c(=O)n3[nH]2)c1.Cc1ccc(NS(C)(=O)=O)c(C(=O)N2CC[C@@H](C)C[C@H]2c2cc3nc(C)c(C)c(=O)n3[nH]2)c1.Cc1ccc(NS(C)(=O)=O)c(C(=O)N2CC[C@H](C)C[C@H]2c2cc3nc(C)c(C)c(=O)n3[nH]2)c1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3NC(=O)OC(C)C)cc2nc1N1CC[C@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3NS(C)(=O)=O)cc2nc1N1CC(C)C(F)C1
InChIInChI=1S/C28H35ClN6O3.C25H30ClFN6O3S.C25H29ClN6O2.3C23H29N5O4S/c1-17(2)38-28(37)30-22-9-8-20(29)13-21(22)27(36)34-11-6-5-7-24(34)23-14-25-31-26(19(4)16-35(25)32-23)33-12-10-18(3)15-33;1-15-12-31(14-19(15)27)24-16(2)13-33-23(28-24)11-21(29-33)22-6-4-5-9-32(22)25(34)18-10-17(26)7-8-20(18)30-37(3,35)36;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;3*1-13-6-7-18(26-33(5,31)32)17(10-13)23(30)27-9-8-14(2)11-20(27)19-12-21-24-16(4)15(3)22(29)28(21)25-19/h8-9,13-14,16-18,24H,5-7,10-12,15H2,1-4H3,(H,30,37);7-8,10-11,13,15,19,22,30H,4-6,9,12,14H2,1-3H3;7-8,10-11,14-15,22H,4-6,9,12-13H2,1-3H3,(H,27,33);3*6-7,10,12,14,20,25-26H,8-9,11H2,1-5H3/t18-,24-;15?,19?,22-;22-;14-,20+;2*14-,20-/m000110/s1
InChIKeySIJRZRSJAHTHDD-HEXPRISLSA-N
MW2983.90 g/mol
LogP23.36
Rot. Bonds26

About N-[4-chloro-2-[(2S)-2-[5-(3-fluoro-4-methylpyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;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-[2-[(2S,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2R,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S,4S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;propan-2-yl 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]carbamate

N-[4-chloro-2-[(2S)-2-[5-(3-fluoro-4-methylpyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;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-[2-[(2S,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2R,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S,4S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;propan-2-yl 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]carbamate (PubChem CID 159729782) has the molecular formula C147H181Cl3FN33O20S4 and a molecular weight of 2983.90 g/mol. Its IUPAC name is N-[4-chloro-2-[(2S)-2-[5-(3-fluoro-4-methylpyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;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-[2-[(2S,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2R,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S,4S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;propan-2-yl 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]carbamate.

Molecular Properties

Compound NameN-[4-chloro-2-[(2S)-2-[5-(3-fluoro-4-methylpyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;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-[2-[(2S,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2R,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S,4S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;propan-2-yl 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]carbamate
PubChem CID159729782
Molecular FormulaC147H181Cl3FN33O20S4
Molecular Weight2983.90 g/mol
Exact Mass2980.21
IUPAC NameN-[4-chloro-2-[(2S)-2-[5-(3-fluoro-4-methylpyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;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-[2-[(2S,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2R,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S,4S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;propan-2-yl 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]carbamate
SMILESCC(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1cc2nc(N3CC(C)C3)c(C)cn2n1.Cc1ccc(NS(C)(=O)=O)c(C(=O)N2CC[C@@H](C)C[C@@H]2c2cc3nc(C)c(C)c(=O)n3[nH]2)c1.Cc1ccc(NS(C)(=O)=O)c(C(=O)N2CC[C@@H](C)C[C@H]2c2cc3nc(C)c(C)c(=O)n3[nH]2)c1.Cc1ccc(NS(C)(=O)=O)c(C(=O)N2CC[C@H](C)C[C@H]2c2cc3nc(C)c(C)c(=O)n3[nH]2)c1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3NC(=O)OC(C)C)cc2nc1N1CC[C@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3NS(C)(=O)=O)cc2nc1N1CC(C)C(F)C1
InChIInChI=1S/C28H35ClN6O3.C25H30ClFN6O3S.C25H29ClN6O2.3C23H29N5O4S/c1-17(2)38-28(37)30-22-9-8-20(29)13-21(22)27(36)34-11-6-5-7-24(34)23-14-25-31-26(19(4)16-35(25)32-23)33-12-10-18(3)15-33;1-15-12-31(14-19(15)27)24-16(2)13-33-23(28-24)11-21(29-33)22-6-4-5-9-32(22)25(34)18-10-17(26)7-8-20(18)30-37(3,35)36;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;3*1-13-6-7-18(26-33(5,31)32)17(10-13)23(30)27-9-8-14(2)11-20(27)19-12-21-24-16(4)15(3)22(29)28(21)25-19/h8-9,13-14,16-18,24H,5-7,10-12,15H2,1-4H3,(H,30,37);7-8,10-11,13,15,19,22,30H,4-6,9,12,14H2,1-3H3;7-8,10-11,14-15,22H,4-6,9,12-13H2,1-3H3,(H,27,33);3*6-7,10,12,14,20,25-26H,8-9,11H2,1-5H3/t18-,24-;15?,19?,22-;22-;14-,20+;2*14-,20-/m000110/s1
InChIKeySIJRZRSJAHTHDD-HEXPRISLSA-N
XLogP23.36
TPSA624.74 Ų
H-Bond Donors9
H-Bond Acceptors38
Rotatable Bonds26
Heavy Atoms208
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002983.90
LogP ≤ 523.36
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1038

Analyze N-[4-chloro-2-[(2S)-2-[5-(3-fluoro-4-methylpyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;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-[2-[(2S,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2R,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S,4S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;propan-2-yl 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]carbamate with MolForge

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Related Compounds

[1-[2-[(2S)-1-[5-chloro-2-(methanesulfonamido)benzoyl]piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-yl] dihydrogen phosphate;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-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;methyl 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]carbamate
CID 159990658
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 58029337
N-[4-chloro-2-[(2S)-2-[5-(3,3-dimethylazetidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;bis(N-[4-chloro-2-[(2S)-2-[6-methyl-5-(3-methylazetidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide);N-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3R)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[2-[(2S)-2-(5,6-dimethyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide
CID 161495816
propan-2-yl N-[2-[2-[5-(3-aminopyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]carbamate
CID 76668199
N-[4-chloro-2-[2-[5-[(3R)-3-methoxypyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 131996366
N-[4-chloro-2-[(2S)-2-[5-(3-hydroxyazetidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 56597828
N-[4-chloro-2-[2-[5-(3-hydroxyazetidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]azepane-1-carbonyl]phenyl]methanesulfonamide
CID 58029805
N-[2-[(2S)-2-[5-(azetidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide
CID 58029553
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-[4-chloro-2-[(2S)-2-[5-[(3R)-3-ethynylpyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 58029422
N-[4-chloro-2-[(2S)-2-[5-(3-hydroxyazetidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-[6-methyl-5-(3-oxoazetidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 158784219
N-[4-chloro-2-[(2S)-2-[5-(3-cyanopyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 130205183

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[(2S)-2-[5-(3-fluoro-4-methylpyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;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-[2-[(2S,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2R,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S,4S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;propan-2-yl 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]carbamate?
The IUPAC name of N-[4-chloro-2-[(2S)-2-[5-(3-fluoro-4-methylpyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;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-[2-[(2S,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2R,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S,4S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;propan-2-yl 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]carbamate (CID 159729782) is N-[4-chloro-2-[(2S)-2-[5-(3-fluoro-4-methylpyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;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-[2-[(2S,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2R,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S,4S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;propan-2-yl 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]carbamate.
What is the SMILES notation for N-[4-chloro-2-[(2S)-2-[5-(3-fluoro-4-methylpyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;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-[2-[(2S,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2R,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S,4S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;propan-2-yl 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]carbamate?
The canonical SMILES for N-[4-chloro-2-[(2S)-2-[5-(3-fluoro-4-methylpyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;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-[2-[(2S,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2R,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S,4S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;propan-2-yl 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]carbamate is CC(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1cc2nc(N3CC(C)C3)c(C)cn2n1.Cc1ccc(NS(C)(=O)=O)c(C(=O)N2CC[C@@H](C)C[C@@H]2c2cc3nc(C)c(C)c(=O)n3[nH]2)c1.Cc1ccc(NS(C)(=O)=O)c(C(=O)N2CC[C@@H](C)C[C@H]2c2cc3nc(C)c(C)c(=O)n3[nH]2)c1.Cc1ccc(NS(C)(=O)=O)c(C(=O)N2CC[C@H](C)C[C@H]2c2cc3nc(C)c(C)c(=O)n3[nH]2)c1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3NC(=O)OC(C)C)cc2nc1N1CC[C@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3NS(C)(=O)=O)cc2nc1N1CC(C)C(F)C1.
What is the InChIKey of N-[4-chloro-2-[(2S)-2-[5-(3-fluoro-4-methylpyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;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-[2-[(2S,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2R,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S,4S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;propan-2-yl 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]carbamate?
The InChIKey is SIJRZRSJAHTHDD-HEXPRISLSA-N. The full InChI is InChI=1S/C28H35ClN6O3.C25H30ClFN6O3S.C25H29ClN6O2.3C23H29N5O4S/c1-17(2)38-28(37)30-22-9-8-20(29)13-21(22)27(36)34-11-6-5-7-24(34)23-14-25-31-26(19(4)16-35(25)32-23)33-12-10-18(3)15-33;1-15-12-31(14-19(15)27)24-16(2)13-33-23(28-24)11-21(29-33)22-6-4-5-9-32(22)25(34)18-10-17(26)7-8-20(18)30-37(3,35)36;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;3*1-13-6-7-18(26-33(5,31)32)17(10-13)23(30)27-9-8-14(2)11-20(27)19-12-21-24-16(4)15(3)22(29)28(21)25-19/h8-9,13-14,16-18,24H,5-7,10-12,15H2,1-4H3,(H,30,37);7-8,10-11,13,15,19,22,30H,4-6,9,12,14H2,1-3H3;7-8,10-11,14-15,22H,4-6,9,12-13H2,1-3H3,(H,27,33);3*6-7,10,12,14,20,25-26H,8-9,11H2,1-5H3/t18-,24-;15?,19?,22-;22-;14-,20+;2*14-,20-/m000110/s1.
What are the key properties of N-[4-chloro-2-[(2S)-2-[5-(3-fluoro-4-methylpyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;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-[2-[(2S,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2R,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S,4S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;propan-2-yl 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]carbamate?
N-[4-chloro-2-[(2S)-2-[5-(3-fluoro-4-methylpyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;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-[2-[(2S,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2R,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S,4S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;propan-2-yl 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]carbamate has a molecular weight of 2983.90 g/mol, XLogP of 23.36, 26 rotatable bonds, 9 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[(2S)-2-[5-(3-fluoro-4-methylpyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;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-[2-[(2S,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2R,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S,4S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;propan-2-yl 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]carbamate is sourced from PubChem (CID 159729782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).