2-[(2S)-2-[5-[(3S)-3-aminocyclopentyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]benzonitrile;[(2S)-2-[5-[(3S)-3-aminocyclopentyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone;(4-chloro-3-hydroxyphenyl)-[(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]-(4-phenyl-2-pyridinyl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-4-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-quinolin-7-ylmethanone

C159H188ClN31O8 — CID 159183771

IUPAC2-[(2S)-2-[5-[(3S)-3-aminocyclopentyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]benzonitrile;[(2S)-2-[5-[(3S)-3-aminocyclopentyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone;(4-chloro-3-hydroxyphenyl)-[(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]-(4-phenyl-2-pyridinyl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-4-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-quinolin-7-ylmethanone
SMILESCOc1ccc(C)cc1C(=O)N1CCCC[C@H]1c1cc2nc(C3CC[C@H](N)C3)c(C)cn2n1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(-c4ccccc4)ccn3)cc2nc1C1CC[C@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ccc(Cl)c(O)c3)cc2nc1C1CC[C@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ccc4cccnc4c3)cc2nc1C1CC[C@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ccccc3C#N)cc2nc1C1CC[C@H](N)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cn[nH]c3C(C)C)cc2nc1C1CC[C@H](C)C1
InChIInChI=1S/C30H33N5O.C28H31N5O.C26H33N5O2.C25H29ClN4O2.C25H34N6O.C25H28N6O/c1-20-11-12-24(16-20)29-21(2)19-35-28(32-29)18-25(33-35)27-10-6-7-15-34(27)30(36)26-17-23(13-14-31-26)22-8-4-3-5-9-22;1-18-8-9-21(14-18)27-19(2)17-33-26(30-27)16-24(31-33)25-7-3-4-13-32(25)28(34)22-11-10-20-6-5-12-29-23(20)15-22;1-16-7-10-23(33-3)20(12-16)26(32)30-11-5-4-6-22(30)21-14-24-28-25(17(2)15-31(24)29-21)18-8-9-19(27)13-18;1-15-6-7-17(11-15)24-16(2)14-30-23(27-24)13-20(28-30)21-5-3-4-10-29(21)25(32)18-8-9-19(26)22(31)12-18;1-15(2)23-19(13-26-28-23)25(32)30-10-6-5-7-21(30)20-12-22-27-24(17(4)14-31(22)29-20)18-9-8-16(3)11-18;1-16-15-31-23(28-24(16)17-9-10-19(27)12-17)13-21(29-31)22-8-4-5-11-30(22)25(32)20-7-3-2-6-18(20)14-26/h3-5,8-9,13-14,17-20,24,27H,6-7,10-12,15-16H2,1-2H3;5-6,10-12,15-18,21,25H,3-4,7-9,13-14H2,1-2H3;7,10,12,14-15,18-19,22H,4-6,8-9,11,13,27H2,1-3H3;8-9,12-15,17,21,31H,3-7,10-11H2,1-2H3;12-16,18,21H,5-11H2,1-4H3,(H,26,28);2-3,6-7,13,15,17,19,22H,4-5,8-12,27H2,1H3/t20-,24?,27-;18-,21?,25-;18?,19-,22-;15-,17?,21-;16-,18?,21-;17?,19-,22-/m000000/s1
InChIKeyKNFLKSQKMOIFJO-YBWTUPMPSA-N
MW2696.91 g/mol
LogP31.24
Rot. Bonds21

About 2-[(2S)-2-[5-[(3S)-3-aminocyclopentyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]benzonitrile;[(2S)-2-[5-[(3S)-3-aminocyclopentyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone;(4-chloro-3-hydroxyphenyl)-[(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]-(4-phenyl-2-pyridinyl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-4-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-quinolin-7-ylmethanone

2-[(2S)-2-[5-[(3S)-3-aminocyclopentyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]benzonitrile;[(2S)-2-[5-[(3S)-3-aminocyclopentyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone;(4-chloro-3-hydroxyphenyl)-[(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]-(4-phenyl-2-pyridinyl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-4-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-quinolin-7-ylmethanone (PubChem CID 159183771) has the molecular formula C159H188ClN31O8 and a molecular weight of 2696.91 g/mol. Its IUPAC name is 2-[(2S)-2-[5-[(3S)-3-aminocyclopentyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]benzonitrile;[(2S)-2-[5-[(3S)-3-aminocyclopentyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone;(4-chloro-3-hydroxyphenyl)-[(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]-(4-phenyl-2-pyridinyl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-4-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-quinolin-7-ylmethanone.

Molecular Properties

Compound Name2-[(2S)-2-[5-[(3S)-3-aminocyclopentyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]benzonitrile;[(2S)-2-[5-[(3S)-3-aminocyclopentyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone;(4-chloro-3-hydroxyphenyl)-[(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]-(4-phenyl-2-pyridinyl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-4-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-quinolin-7-ylmethanone
PubChem CID159183771
Molecular FormulaC159H188ClN31O8
Molecular Weight2696.91 g/mol
Exact Mass2694.49
IUPAC Name2-[(2S)-2-[5-[(3S)-3-aminocyclopentyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]benzonitrile;[(2S)-2-[5-[(3S)-3-aminocyclopentyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone;(4-chloro-3-hydroxyphenyl)-[(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]-(4-phenyl-2-pyridinyl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-4-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-quinolin-7-ylmethanone
SMILESCOc1ccc(C)cc1C(=O)N1CCCC[C@H]1c1cc2nc(C3CC[C@H](N)C3)c(C)cn2n1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(-c4ccccc4)ccn3)cc2nc1C1CC[C@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ccc(Cl)c(O)c3)cc2nc1C1CC[C@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ccc4cccnc4c3)cc2nc1C1CC[C@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ccccc3C#N)cc2nc1C1CC[C@H](N)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cn[nH]c3C(C)C)cc2nc1C1CC[C@H](C)C1
InChIInChI=1S/C30H33N5O.C28H31N5O.C26H33N5O2.C25H29ClN4O2.C25H34N6O.C25H28N6O/c1-20-11-12-24(16-20)29-21(2)19-35-28(32-29)18-25(33-35)27-10-6-7-15-34(27)30(36)26-17-23(13-14-31-26)22-8-4-3-5-9-22;1-18-8-9-21(14-18)27-19(2)17-33-26(30-27)16-24(31-33)25-7-3-4-13-32(25)28(34)22-11-10-20-6-5-12-29-23(20)15-22;1-16-7-10-23(33-3)20(12-16)26(32)30-11-5-4-6-22(30)21-14-24-28-25(17(2)15-31(24)29-21)18-8-9-19(27)13-18;1-15-6-7-17(11-15)24-16(2)14-30-23(27-24)13-20(28-30)21-5-3-4-10-29(21)25(32)18-8-9-19(26)22(31)12-18;1-15(2)23-19(13-26-28-23)25(32)30-10-6-5-7-21(30)20-12-22-27-24(17(4)14-31(22)29-20)18-9-8-16(3)11-18;1-16-15-31-23(28-24(16)17-9-10-19(27)12-17)13-21(29-31)22-8-4-5-11-30(22)25(32)20-7-3-2-6-18(20)14-26/h3-5,8-9,13-14,17-20,24,27H,6-7,10-12,15-16H2,1-2H3;5-6,10-12,15-18,21,25H,3-4,7-9,13-14H2,1-2H3;7,10,12,14-15,18-19,22H,4-6,8-9,11,13,27H2,1-3H3;8-9,12-15,17,21,31H,3-7,10-11H2,1-2H3;12-16,18,21H,5-11H2,1-4H3,(H,26,28);2-3,6-7,13,15,17,19,22H,4-5,8-12,27H2,1H3/t20-,24?,27-;18-,21?,25-;18?,19-,22-;15-,17?,21-;16-,18?,21-;17?,19-,22-/m000000/s1
InChIKeyKNFLKSQKMOIFJO-YBWTUPMPSA-N
XLogP31.24
TPSA462.75 Ų
H-Bond Donors4
H-Bond Acceptors32
Rotatable Bonds21
Heavy Atoms199
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002696.91
LogP ≤ 531.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1032

Analyze 2-[(2S)-2-[5-[(3S)-3-aminocyclopentyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]benzonitrile;[(2S)-2-[5-[(3S)-3-aminocyclopentyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone;(4-chloro-3-hydroxyphenyl)-[(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]-(4-phenyl-2-pyridinyl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-4-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-quinolin-7-ylmethanone with MolForge

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Related Compounds

CID 160281062
CID 160281062
CID 160934733
CID 160934733
CID 157085233
CID 157085233
CID 157135622
CID 157135622
CID 157973143
CID 157973143
CID 158019148
CID 158019148
CID 158356441
CID 158356441
CID 158731399
CID 158731399
CID 158732351
CID 158732351
CID 158761532
CID 158761532
CID 159530872
CID 159530872
CID 160107920
CID 160107920

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-[5-[(3S)-3-aminocyclopentyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]benzonitrile;[(2S)-2-[5-[(3S)-3-aminocyclopentyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone;(4-chloro-3-hydroxyphenyl)-[(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]-(4-phenyl-2-pyridinyl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-4-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-quinolin-7-ylmethanone?
The IUPAC name of 2-[(2S)-2-[5-[(3S)-3-aminocyclopentyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]benzonitrile;[(2S)-2-[5-[(3S)-3-aminocyclopentyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone;(4-chloro-3-hydroxyphenyl)-[(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]-(4-phenyl-2-pyridinyl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-4-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-quinolin-7-ylmethanone (CID 159183771) is 2-[(2S)-2-[5-[(3S)-3-aminocyclopentyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]benzonitrile;[(2S)-2-[5-[(3S)-3-aminocyclopentyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone;(4-chloro-3-hydroxyphenyl)-[(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]-(4-phenyl-2-pyridinyl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-4-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-quinolin-7-ylmethanone.
What is the SMILES notation for 2-[(2S)-2-[5-[(3S)-3-aminocyclopentyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]benzonitrile;[(2S)-2-[5-[(3S)-3-aminocyclopentyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone;(4-chloro-3-hydroxyphenyl)-[(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]-(4-phenyl-2-pyridinyl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-4-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-quinolin-7-ylmethanone?
The canonical SMILES for 2-[(2S)-2-[5-[(3S)-3-aminocyclopentyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]benzonitrile;[(2S)-2-[5-[(3S)-3-aminocyclopentyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone;(4-chloro-3-hydroxyphenyl)-[(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]-(4-phenyl-2-pyridinyl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-4-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-quinolin-7-ylmethanone is COc1ccc(C)cc1C(=O)N1CCCC[C@H]1c1cc2nc(C3CC[C@H](N)C3)c(C)cn2n1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(-c4ccccc4)ccn3)cc2nc1C1CC[C@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ccc(Cl)c(O)c3)cc2nc1C1CC[C@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ccc4cccnc4c3)cc2nc1C1CC[C@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ccccc3C#N)cc2nc1C1CC[C@H](N)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cn[nH]c3C(C)C)cc2nc1C1CC[C@H](C)C1.
What is the InChIKey of 2-[(2S)-2-[5-[(3S)-3-aminocyclopentyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]benzonitrile;[(2S)-2-[5-[(3S)-3-aminocyclopentyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone;(4-chloro-3-hydroxyphenyl)-[(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]-(4-phenyl-2-pyridinyl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-4-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-quinolin-7-ylmethanone?
The InChIKey is KNFLKSQKMOIFJO-YBWTUPMPSA-N. The full InChI is InChI=1S/C30H33N5O.C28H31N5O.C26H33N5O2.C25H29ClN4O2.C25H34N6O.C25H28N6O/c1-20-11-12-24(16-20)29-21(2)19-35-28(32-29)18-25(33-35)27-10-6-7-15-34(27)30(36)26-17-23(13-14-31-26)22-8-4-3-5-9-22;1-18-8-9-21(14-18)27-19(2)17-33-26(30-27)16-24(31-33)25-7-3-4-13-32(25)28(34)22-11-10-20-6-5-12-29-23(20)15-22;1-16-7-10-23(33-3)20(12-16)26(32)30-11-5-4-6-22(30)21-14-24-28-25(17(2)15-31(24)29-21)18-8-9-19(27)13-18;1-15-6-7-17(11-15)24-16(2)14-30-23(27-24)13-20(28-30)21-5-3-4-10-29(21)25(32)18-8-9-19(26)22(31)12-18;1-15(2)23-19(13-26-28-23)25(32)30-10-6-5-7-21(30)20-12-22-27-24(17(4)14-31(22)29-20)18-9-8-16(3)11-18;1-16-15-31-23(28-24(16)17-9-10-19(27)12-17)13-21(29-31)22-8-4-5-11-30(22)25(32)20-7-3-2-6-18(20)14-26/h3-5,8-9,13-14,17-20,24,27H,6-7,10-12,15-16H2,1-2H3;5-6,10-12,15-18,21,25H,3-4,7-9,13-14H2,1-2H3;7,10,12,14-15,18-19,22H,4-6,8-9,11,13,27H2,1-3H3;8-9,12-15,17,21,31H,3-7,10-11H2,1-2H3;12-16,18,21H,5-11H2,1-4H3,(H,26,28);2-3,6-7,13,15,17,19,22H,4-5,8-12,27H2,1H3/t20-,24?,27-;18-,21?,25-;18?,19-,22-;15-,17?,21-;16-,18?,21-;17?,19-,22-/m000000/s1.
What are the key properties of 2-[(2S)-2-[5-[(3S)-3-aminocyclopentyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]benzonitrile;[(2S)-2-[5-[(3S)-3-aminocyclopentyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone;(4-chloro-3-hydroxyphenyl)-[(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]-(4-phenyl-2-pyridinyl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-4-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-quinolin-7-ylmethanone?
2-[(2S)-2-[5-[(3S)-3-aminocyclopentyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]benzonitrile;[(2S)-2-[5-[(3S)-3-aminocyclopentyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone;(4-chloro-3-hydroxyphenyl)-[(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]-(4-phenyl-2-pyridinyl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-4-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-quinolin-7-ylmethanone has a molecular weight of 2696.91 g/mol, XLogP of 31.24, 21 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-[5-[(3S)-3-aminocyclopentyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]benzonitrile;[(2S)-2-[5-[(3S)-3-aminocyclopentyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone;(4-chloro-3-hydroxyphenyl)-[(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]-(4-phenyl-2-pyridinyl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-4-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-quinolin-7-ylmethanone is sourced from PubChem (CID 159183771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).