(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

C155H180ClF4N27O7 — CID 158839968

IUPAC(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
SMILESCOc1cccc(C(=O)N2CCCC[C@H]2c2cc3nc(C4CC[C@H](C)C4)c(C)cn3n2)c1Cl.Cc1ccc(C(=O)N2CCCC[C@H]2c2cc3nc(C4CC[C@H](C)C4)c(C)cn3n2)c(F)c1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ccccc3-c3cccnc3)cc2nc1C1CC[C@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ccccc3F)cc2nc1C1CC[C@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cccnc3F)cc2nc1C1CC[C@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ccncc3F)cc2nc1C1CC[C@H](C)C1
InChIInChI=1S/C30H33N5O.C26H31ClN4O2.C26H31FN4O.C25H29FN4O.2C24H28FN5O/c1-20-12-13-22(16-20)29-21(2)19-35-28(32-29)17-26(33-35)27-11-5-6-15-34(27)30(36)25-10-4-3-9-24(25)23-8-7-14-31-18-23;1-16-10-11-18(13-16)25-17(2)15-31-23(28-25)14-20(29-31)21-8-4-5-12-30(21)26(32)19-7-6-9-22(33-3)24(19)27;1-16-7-9-19(12-16)25-18(3)15-31-24(28-25)14-22(29-31)23-6-4-5-11-30(23)26(32)20-10-8-17(2)13-21(20)27;1-16-10-11-18(13-16)24-17(2)15-30-23(27-24)14-21(28-30)22-9-5-6-12-29(22)25(31)19-7-3-4-8-20(19)26;1-15-8-9-17(12-15)22-16(2)14-30-21(27-22)13-19(28-30)20-7-3-4-11-29(20)24(31)18-6-5-10-26-23(18)25;1-15-6-7-17(11-15)23-16(2)14-30-22(27-23)12-20(28-30)21-5-3-4-10-29(21)24(31)18-8-9-26-13-19(18)25/h3-4,7-10,14,17-20,22,27H,5-6,11-13,15-16H2,1-2H3;6-7,9,14-16,18,21H,4-5,8,10-13H2,1-3H3;8,10,13-16,19,23H,4-7,9,11-12H2,1-3H3;3-4,7-8,14-16,18,22H,5-6,9-13H2,1-2H3;5-6,10,13-15,17,20H,3-4,7-9,11-12H2,1-2H3;8-9,12-15,17,21H,3-7,10-11H2,1-2H3/t20-,22?,27-;16-,18?,21-;16-,19?,23-;16-,18?,22-;15-,17?,20-;15-,17?,21-/m000000/s1
InChIKeyIYCPAOIMQZGRBC-FJNLGJTCSA-N
MW2644.77 g/mol
LogP33.23
Rot. Bonds20

About (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

(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 (PubChem CID 158839968) has the molecular formula C155H180ClF4N27O7 and a molecular weight of 2644.77 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID158839968
Molecular FormulaC155H180ClF4N27O7
Molecular Weight2644.77 g/mol
Exact Mass2642.42
IUPAC Name(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
SMILESCOc1cccc(C(=O)N2CCCC[C@H]2c2cc3nc(C4CC[C@H](C)C4)c(C)cn3n2)c1Cl.Cc1ccc(C(=O)N2CCCC[C@H]2c2cc3nc(C4CC[C@H](C)C4)c(C)cn3n2)c(F)c1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ccccc3-c3cccnc3)cc2nc1C1CC[C@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ccccc3F)cc2nc1C1CC[C@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cccnc3F)cc2nc1C1CC[C@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ccncc3F)cc2nc1C1CC[C@H](C)C1
InChIInChI=1S/C30H33N5O.C26H31ClN4O2.C26H31FN4O.C25H29FN4O.2C24H28FN5O/c1-20-12-13-22(16-20)29-21(2)19-35-28(32-29)17-26(33-35)27-11-5-6-15-34(27)30(36)25-10-4-3-9-24(25)23-8-7-14-31-18-23;1-16-10-11-18(13-16)25-17(2)15-31-23(28-25)14-20(29-31)21-8-4-5-12-30(21)26(32)19-7-6-9-22(33-3)24(19)27;1-16-7-9-19(12-16)25-18(3)15-31-24(28-25)14-22(29-31)23-6-4-5-11-30(23)26(32)20-10-8-17(2)13-21(20)27;1-16-10-11-18(13-16)24-17(2)15-30-23(27-24)14-21(28-30)22-9-5-6-12-29(22)25(31)19-7-3-4-8-20(19)26;1-15-8-9-17(12-15)22-16(2)14-30-21(27-22)13-19(28-30)20-7-3-4-11-29(20)24(31)18-6-5-10-26-23(18)25;1-15-6-7-17(11-15)23-16(2)14-30-22(27-23)12-20(28-30)21-5-3-4-10-29(21)24(31)18-8-9-26-13-19(18)25/h3-4,7-10,14,17-20,22,27H,5-6,11-13,15-16H2,1-2H3;6-7,9,14-16,18,21H,4-5,8,10-13H2,1-3H3;8,10,13-16,19,23H,4-7,9,11-12H2,1-3H3;3-4,7-8,14-16,18,22H,5-6,9-13H2,1-2H3;5-6,10,13-15,17,20H,3-4,7-9,11-12H2,1-2H3;8-9,12-15,17,21H,3-7,10-11H2,1-2H3/t20-,22?,27-;16-,18?,21-;16-,19?,23-;16-,18?,22-;15-,17?,20-;15-,17?,21-/m000000/s1
InChIKeyIYCPAOIMQZGRBC-FJNLGJTCSA-N
XLogP33.23
TPSA350.90 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds20
Heavy Atoms194
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002644.77
LogP ≤ 533.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (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 with MolForge

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Launch Full Analysis

Related Compounds

(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
[(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-[5-(3-hydroxy-4-methylpyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 123357735
(3S,4R)-1-[2-[(2S)-1-(5-bromo-2-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(2-chloro-3-fluorobenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(3-chloropyridine-2-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(3-chloro-2,4,5-trifluorobenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(4-cyano-2-fluorobenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(2-methoxybenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile
CID 159959740
2-[2-[5-(3-aminocyclopentyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]benzonitrile
CID 76668429
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-fluoro-4-methylphenyl)methanone
CID 58030137
(3S,4R)-1-[2-[(2S)-1-(5-chloro-2-methoxybenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-hydroxypyrrolidine-3-carbonitrile
CID 71622005
(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
(2,5-dimethylphenyl)-[(2S)-2-(6-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone;methylsulfonylmethane
CID 145014752
1-[2-[(2S)-1-(2-chloro-3-fluorobenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile
CID 131996284
[(2S)-2-[5-(3-iminopyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 131996253
[(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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1cccc(C(=O)N2CCCC[C@H]2c2cc3nc(C4CC[C@H](C)C4)c(C)cn3n2)c1Cl.Cc1ccc(C(=O)N2CCCC[C@H]2c2cc3nc(C4CC[C@H](C)C4)c(C)cn3n2)c(F)c1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ccccc3-c3cccnc3)cc2nc1C1CC[C@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ccccc3F)cc2nc1C1CC[C@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cccnc3F)cc2nc1C1CC[C@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ccncc3F)cc2nc1C1CC[C@H](C)C1.
What is the InChIKey of (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?
The InChIKey is IYCPAOIMQZGRBC-FJNLGJTCSA-N. The full InChI is InChI=1S/C30H33N5O.C26H31ClN4O2.C26H31FN4O.C25H29FN4O.2C24H28FN5O/c1-20-12-13-22(16-20)29-21(2)19-35-28(32-29)17-26(33-35)27-11-5-6-15-34(27)30(36)25-10-4-3-9-24(25)23-8-7-14-31-18-23;1-16-10-11-18(13-16)25-17(2)15-31-23(28-25)14-20(29-31)21-8-4-5-12-30(21)26(32)19-7-6-9-22(33-3)24(19)27;1-16-7-9-19(12-16)25-18(3)15-31-24(28-25)14-22(29-31)23-6-4-5-11-30(23)26(32)20-10-8-17(2)13-21(20)27;1-16-10-11-18(13-16)24-17(2)15-30-23(27-24)14-21(28-30)22-9-5-6-12-29(22)25(31)19-7-3-4-8-20(19)26;1-15-8-9-17(12-15)22-16(2)14-30-21(27-22)13-19(28-30)20-7-3-4-11-29(20)24(31)18-6-5-10-26-23(18)25;1-15-6-7-17(11-15)23-16(2)14-30-22(27-23)12-20(28-30)21-5-3-4-10-29(21)24(31)18-8-9-26-13-19(18)25/h3-4,7-10,14,17-20,22,27H,5-6,11-13,15-16H2,1-2H3;6-7,9,14-16,18,21H,4-5,8,10-13H2,1-3H3;8,10,13-16,19,23H,4-7,9,11-12H2,1-3H3;3-4,7-8,14-16,18,22H,5-6,9-13H2,1-2H3;5-6,10,13-15,17,20H,3-4,7-9,11-12H2,1-2H3;8-9,12-15,17,21H,3-7,10-11H2,1-2H3/t20-,22?,27-;16-,18?,21-;16-,19?,23-;16-,18?,22-;15-,17?,20-;15-,17?,21-/m000000/s1.
What are the key properties of (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?
(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 has a molecular weight of 2644.77 g/mol, XLogP of 33.23, 20 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 158839968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).