(3,5-dimethylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;1H-indol-2-yl-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(4-methoxy-2-methylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(1-methylindol-7-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;1-[3-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]ethanone;5-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile

C161H192N28O8 — CID 158987610

IUPAC(3,5-dimethylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;1H-indol-2-yl-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(4-methoxy-2-methylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(1-methylindol-7-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;1-[3-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]ethanone;5-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile
SMILESCC(=O)c1cccc(C(=O)N2CCCC[C@H]2c2cc3nc(C4CC[C@H](C)C4)c(C)cn3n2)c1.COc1ccc(C(=O)N2CCCC[C@H]2c2cc3nc(C4CC[C@H](C)C4)c(C)cn3n2)c(C)c1.Cc1cc(C)cc(C(=O)N2CCCC[C@H]2c2cc3nc(C4CC[C@H](C)C4)c(C)cn3n2)c1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc4ccccc4[nH]3)cc2nc1C1CC[C@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ccc(C#N)nc3)cc2nc1C1CC[C@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cccc4ccn(C)c34)cc2nc1C1CC[C@H](C)C1
InChIInChI=1S/C28H33N5O.C27H31N5O.C27H34N4O2.C27H32N4O2.C27H34N4O.C25H28N6O/c1-18-10-11-21(15-18)26-19(2)17-33-25(29-26)16-23(30-33)24-9-4-5-13-32(24)28(34)22-8-6-7-20-12-14-31(3)27(20)22;1-17-10-11-20(13-17)26-18(2)16-32-25(29-26)15-22(30-32)24-9-5-6-12-31(24)27(33)23-14-19-7-3-4-8-21(19)28-23;1-17-8-9-20(13-17)26-19(3)16-31-25(28-26)15-23(29-31)24-7-5-6-12-30(24)27(32)22-11-10-21(33-4)14-18(22)2;1-17-10-11-21(13-17)26-18(2)16-31-25(28-26)15-23(29-31)24-9-4-5-12-30(24)27(33)22-8-6-7-20(14-22)19(3)32;1-17-8-9-21(12-17)26-20(4)16-31-25(28-26)15-23(29-31)24-7-5-6-10-30(24)27(32)22-13-18(2)11-19(3)14-22;1-16-6-7-18(11-16)24-17(2)15-31-23(28-24)12-21(29-31)22-5-3-4-10-30(22)25(32)19-8-9-20(13-26)27-14-19/h6-8,12,14,16-18,21,24H,4-5,9-11,13,15H2,1-3H3;3-4,7-8,14-17,20,24,28H,5-6,9-13H2,1-2H3;10-11,14-17,20,24H,5-9,12-13H2,1-4H3;6-8,14-17,21,24H,4-5,9-13H2,1-3H3;11,13-17,21,24H,5-10,12H2,1-4H3;8-9,12,14-16,18,22H,3-7,10-11H2,1-2H3/t18-,21?,24-;2*17-,20?,24-;2*17-,21?,24-;16-,18?,22-/m000000/s1
InChIKeyJPTNJVMUVOCKMO-KQNHUTNOSA-N
MW2647.49 g/mol
LogP33.23
Rot. Bonds20

About (3,5-dimethylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;1H-indol-2-yl-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(4-methoxy-2-methylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(1-methylindol-7-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;1-[3-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]ethanone;5-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile

(3,5-dimethylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;1H-indol-2-yl-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(4-methoxy-2-methylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(1-methylindol-7-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;1-[3-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]ethanone;5-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile (PubChem CID 158987610) has the molecular formula C161H192N28O8 and a molecular weight of 2647.49 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;1H-indol-2-yl-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(4-methoxy-2-methylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(1-methylindol-7-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;1-[3-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]ethanone;5-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;1H-indol-2-yl-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(4-methoxy-2-methylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(1-methylindol-7-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;1-[3-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]ethanone;5-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile
PubChem CID158987610
Molecular FormulaC161H192N28O8
Molecular Weight2647.49 g/mol
Exact Mass2645.55
IUPAC Name(3,5-dimethylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;1H-indol-2-yl-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(4-methoxy-2-methylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(1-methylindol-7-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;1-[3-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]ethanone;5-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile
SMILESCC(=O)c1cccc(C(=O)N2CCCC[C@H]2c2cc3nc(C4CC[C@H](C)C4)c(C)cn3n2)c1.COc1ccc(C(=O)N2CCCC[C@H]2c2cc3nc(C4CC[C@H](C)C4)c(C)cn3n2)c(C)c1.Cc1cc(C)cc(C(=O)N2CCCC[C@H]2c2cc3nc(C4CC[C@H](C)C4)c(C)cn3n2)c1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc4ccccc4[nH]3)cc2nc1C1CC[C@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ccc(C#N)nc3)cc2nc1C1CC[C@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cccc4ccn(C)c34)cc2nc1C1CC[C@H](C)C1
InChIInChI=1S/C28H33N5O.C27H31N5O.C27H34N4O2.C27H32N4O2.C27H34N4O.C25H28N6O/c1-18-10-11-21(15-18)26-19(2)17-33-25(29-26)16-23(30-33)24-9-4-5-13-32(24)28(34)22-8-6-7-20-12-14-31(3)27(20)22;1-17-10-11-20(13-17)26-18(2)16-32-25(29-26)15-22(30-32)24-9-5-6-12-31(24)27(33)23-14-19-7-3-4-8-21(19)28-23;1-17-8-9-20(13-17)26-19(3)16-31-25(28-26)15-23(29-31)24-7-5-6-12-30(24)27(32)22-11-10-21(33-4)14-18(22)2;1-17-10-11-21(13-17)26-18(2)16-31-25(28-26)15-23(29-31)24-9-4-5-12-30(24)27(33)22-8-6-7-20(14-22)19(3)32;1-17-8-9-21(12-17)26-20(4)16-31-25(28-26)15-23(29-31)24-7-5-6-10-30(24)27(32)22-13-18(2)11-19(3)14-22;1-16-6-7-18(11-16)24-17(2)15-31-23(28-24)12-21(29-31)22-5-3-4-10-30(22)25(32)19-8-9-20(13-26)27-14-19/h6-8,12,14,16-18,21,24H,4-5,9-11,13,15H2,1-3H3;3-4,7-8,14-17,20,24,28H,5-6,9-13H2,1-2H3;10-11,14-17,20,24H,5-9,12-13H2,1-4H3;6-8,14-17,21,24H,4-5,9-13H2,1-3H3;11,13-17,21,24H,5-10,12H2,1-4H3;8-9,12,14-16,18,22H,3-7,10-11H2,1-2H3/t18-,21?,24-;2*17-,20?,24-;2*17-,21?,24-;16-,18?,22-/m000000/s1
InChIKeyJPTNJVMUVOCKMO-KQNHUTNOSA-N
XLogP33.23
TPSA386.70 Ų
H-Bond Donors1
H-Bond Acceptors29
Rotatable Bonds20
Heavy Atoms197
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002647.49
LogP ≤ 533.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1029

Analyze (3,5-dimethylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;1H-indol-2-yl-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(4-methoxy-2-methylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(1-methylindol-7-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;1-[3-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]ethanone;5-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile with MolForge

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Related Compounds

5-[(2S)-2-[6-methyl-5-[(3S)-3-(methylideneamino)cyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile
CID 130205364
2-[2-[5-(3-aminocyclopentyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]benzonitrile
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[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 58029820
(2-chloro-3-methoxyphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(2-fluoro-4-methylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(2-fluorophenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(2-fluoro-3-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(3-fluoro-4-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-pyridin-3-ylphenyl)methanone
CID 158839968
(2-fluoro-4-methylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-(methylideneamino)cyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone
CID 130205336
1-[2-[1-(2-chloro-5-methoxybenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-hydroxypyrrolidine-3-carbonitrile
CID 78137290
[2-[5-(3-hydroxy-4-methylpyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 123357735
(3-methoxyphenyl)-[2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 91913590
(3S,4R)-4-hydroxy-1-[2-[(2S)-1-(2-methoxy-4-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile
CID 71621404
1-[2-[1-(2-methoxy-4-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile
CID 123855816
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-chloro-5-methoxyphenyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2,3-difluorophenyl)methanone;bis([(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2,5-dimethylphenyl)methanone);[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methoxy-4-methylphenyl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-naphthalen-1-ylmethanone
CID 158706722
1-[6-methyl-2-[1-(2-phenylbenzoyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile
CID 123173645

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;1H-indol-2-yl-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(4-methoxy-2-methylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(1-methylindol-7-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;1-[3-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]ethanone;5-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile?
The IUPAC name of (3,5-dimethylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;1H-indol-2-yl-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(4-methoxy-2-methylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(1-methylindol-7-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;1-[3-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]ethanone;5-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile (CID 158987610) is (3,5-dimethylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;1H-indol-2-yl-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(4-methoxy-2-methylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(1-methylindol-7-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;1-[3-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]ethanone;5-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile.
What is the SMILES notation for (3,5-dimethylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;1H-indol-2-yl-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(4-methoxy-2-methylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(1-methylindol-7-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;1-[3-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]ethanone;5-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile?
The canonical SMILES for (3,5-dimethylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;1H-indol-2-yl-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(4-methoxy-2-methylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(1-methylindol-7-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;1-[3-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]ethanone;5-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile is CC(=O)c1cccc(C(=O)N2CCCC[C@H]2c2cc3nc(C4CC[C@H](C)C4)c(C)cn3n2)c1.COc1ccc(C(=O)N2CCCC[C@H]2c2cc3nc(C4CC[C@H](C)C4)c(C)cn3n2)c(C)c1.Cc1cc(C)cc(C(=O)N2CCCC[C@H]2c2cc3nc(C4CC[C@H](C)C4)c(C)cn3n2)c1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc4ccccc4[nH]3)cc2nc1C1CC[C@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ccc(C#N)nc3)cc2nc1C1CC[C@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cccc4ccn(C)c34)cc2nc1C1CC[C@H](C)C1.
What is the InChIKey of (3,5-dimethylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;1H-indol-2-yl-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(4-methoxy-2-methylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(1-methylindol-7-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;1-[3-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]ethanone;5-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile?
The InChIKey is JPTNJVMUVOCKMO-KQNHUTNOSA-N. The full InChI is InChI=1S/C28H33N5O.C27H31N5O.C27H34N4O2.C27H32N4O2.C27H34N4O.C25H28N6O/c1-18-10-11-21(15-18)26-19(2)17-33-25(29-26)16-23(30-33)24-9-4-5-13-32(24)28(34)22-8-6-7-20-12-14-31(3)27(20)22;1-17-10-11-20(13-17)26-18(2)16-32-25(29-26)15-22(30-32)24-9-5-6-12-31(24)27(33)23-14-19-7-3-4-8-21(19)28-23;1-17-8-9-20(13-17)26-19(3)16-31-25(28-26)15-23(29-31)24-7-5-6-12-30(24)27(32)22-11-10-21(33-4)14-18(22)2;1-17-10-11-21(13-17)26-18(2)16-31-25(28-26)15-23(29-31)24-9-4-5-12-30(24)27(33)22-8-6-7-20(14-22)19(3)32;1-17-8-9-21(12-17)26-20(4)16-31-25(28-26)15-23(29-31)24-7-5-6-10-30(24)27(32)22-13-18(2)11-19(3)14-22;1-16-6-7-18(11-16)24-17(2)15-31-23(28-24)12-21(29-31)22-5-3-4-10-30(22)25(32)19-8-9-20(13-26)27-14-19/h6-8,12,14,16-18,21,24H,4-5,9-11,13,15H2,1-3H3;3-4,7-8,14-17,20,24,28H,5-6,9-13H2,1-2H3;10-11,14-17,20,24H,5-9,12-13H2,1-4H3;6-8,14-17,21,24H,4-5,9-13H2,1-3H3;11,13-17,21,24H,5-10,12H2,1-4H3;8-9,12,14-16,18,22H,3-7,10-11H2,1-2H3/t18-,21?,24-;2*17-,20?,24-;2*17-,21?,24-;16-,18?,22-/m000000/s1.
What are the key properties of (3,5-dimethylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;1H-indol-2-yl-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(4-methoxy-2-methylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(1-methylindol-7-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;1-[3-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]ethanone;5-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile?
(3,5-dimethylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;1H-indol-2-yl-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(4-methoxy-2-methylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(1-methylindol-7-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;1-[3-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]ethanone;5-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile has a molecular weight of 2647.49 g/mol, XLogP of 33.23, 20 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;1H-indol-2-yl-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(4-methoxy-2-methylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(1-methylindol-7-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;1-[3-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]ethanone;5-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile is sourced from PubChem (CID 158987610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).