(2-chlorophenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(2-cyclopentyloxyphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(5-ethylsulfonyl-2-fluorophenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(3-fluoro-2-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[6-(hydroxymethyl)-2-pyridinyl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-quinolin-6-ylmethanone

C153H184ClF2N33O10S — CID 159377929

IUPAC(2-chlorophenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(2-cyclopentyloxyphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(5-ethylsulfonyl-2-fluorophenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(3-fluoro-2-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[6-(hydroxymethyl)-2-pyridinyl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-quinolin-6-ylmethanone
SMILESCCS(=O)(=O)c1ccc(F)c(C(=O)N2CCCC[C@H]2c2cc3nc(N4CC[C@H](C)C4)c(C)cn3n2)c1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ccc4ncccc4c3)cc2nc1N1CC[C@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cccc(CO)n3)cc2nc1N1CC[C@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ccccc3Cl)cc2nc1N1CC[C@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ccccc3OC3CCCC3)cc2nc1N1CC[C@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ncccc3F)cc2nc1N1CC[C@H](C)C1
InChIInChI=1S/C29H37N5O2.C27H30N6O.C26H32FN5O3S.C24H28ClN5O.C24H30N6O2.C23H27FN6O/c1-20-14-16-32(18-20)28-21(2)19-34-27(30-28)17-24(31-34)25-12-7-8-15-33(25)29(35)23-11-5-6-13-26(23)36-22-9-3-4-10-22;1-18-10-13-31(16-18)26-19(2)17-33-25(29-26)15-23(30-33)24-7-3-4-12-32(24)27(34)21-8-9-22-20(14-21)6-5-11-28-22;1-4-36(34,35)19-8-9-21(27)20(13-19)26(33)31-11-6-5-7-23(31)22-14-24-28-25(18(3)16-32(24)29-22)30-12-10-17(2)15-30;1-16-10-12-28(14-16)23-17(2)15-30-22(26-23)13-20(27-30)21-9-5-6-11-29(21)24(31)18-7-3-4-8-19(18)25;1-16-9-11-28(13-16)23-17(2)14-30-22(26-23)12-20(27-30)21-8-3-4-10-29(21)24(32)19-7-5-6-18(15-31)25-19;1-15-8-11-28(13-15)22-16(2)14-30-20(26-22)12-18(27-30)19-7-3-4-10-29(19)23(31)21-17(24)6-5-9-25-21/h5-6,11,13,17,19-20,22,25H,3-4,7-10,12,14-16,18H2,1-2H3;5-6,8-9,11,14-15,17-18,24H,3-4,7,10,12-13,16H2,1-2H3;8-9,13-14,16-17,23H,4-7,10-12,15H2,1-3H3;3-4,7-8,13,15-16,21H,5-6,9-12,14H2,1-2H3;5-7,12,14,16,21,31H,3-4,8-11,13,15H2,1-2H3;5-6,9,12,14-15,19H,3-4,7-8,10-11,13H2,1-2H3/t20-,25-;18-,24-;17-,23-;2*16-,21-;15-,19-/m000000/s1
InChIKeyLKNZGTIRHNTJHG-FIUGJLLCSA-N
MW2750.89 g/mol
LogP26.39
Rot. Bonds23

About (2-chlorophenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(2-cyclopentyloxyphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(5-ethylsulfonyl-2-fluorophenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(3-fluoro-2-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[6-(hydroxymethyl)-2-pyridinyl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-quinolin-6-ylmethanone

(2-chlorophenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(2-cyclopentyloxyphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(5-ethylsulfonyl-2-fluorophenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(3-fluoro-2-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[6-(hydroxymethyl)-2-pyridinyl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-quinolin-6-ylmethanone (PubChem CID 159377929) has the molecular formula C153H184ClF2N33O10S and a molecular weight of 2750.89 g/mol. Its IUPAC name is (2-chlorophenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(2-cyclopentyloxyphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(5-ethylsulfonyl-2-fluorophenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(3-fluoro-2-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[6-(hydroxymethyl)-2-pyridinyl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-quinolin-6-ylmethanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(2-cyclopentyloxyphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(5-ethylsulfonyl-2-fluorophenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(3-fluoro-2-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[6-(hydroxymethyl)-2-pyridinyl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-quinolin-6-ylmethanone
PubChem CID159377929
Molecular FormulaC153H184ClF2N33O10S
Molecular Weight2750.89 g/mol
Exact Mass2748.43
IUPAC Name(2-chlorophenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(2-cyclopentyloxyphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(5-ethylsulfonyl-2-fluorophenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(3-fluoro-2-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[6-(hydroxymethyl)-2-pyridinyl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-quinolin-6-ylmethanone
SMILESCCS(=O)(=O)c1ccc(F)c(C(=O)N2CCCC[C@H]2c2cc3nc(N4CC[C@H](C)C4)c(C)cn3n2)c1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ccc4ncccc4c3)cc2nc1N1CC[C@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cccc(CO)n3)cc2nc1N1CC[C@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ccccc3Cl)cc2nc1N1CC[C@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ccccc3OC3CCCC3)cc2nc1N1CC[C@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ncccc3F)cc2nc1N1CC[C@H](C)C1
InChIInChI=1S/C29H37N5O2.C27H30N6O.C26H32FN5O3S.C24H28ClN5O.C24H30N6O2.C23H27FN6O/c1-20-14-16-32(18-20)28-21(2)19-34-27(30-28)17-24(31-34)25-12-7-8-15-33(25)29(35)23-11-5-6-13-26(23)36-22-9-3-4-10-22;1-18-10-13-31(16-18)26-19(2)17-33-25(29-26)15-23(30-33)24-7-3-4-12-32(24)27(34)21-8-9-22-20(14-21)6-5-11-28-22;1-4-36(34,35)19-8-9-21(27)20(13-19)26(33)31-11-6-5-7-23(31)22-14-24-28-25(18(3)16-32(24)29-22)30-12-10-17(2)15-30;1-16-10-12-28(14-16)23-17(2)15-30-22(26-23)13-20(27-30)21-9-5-6-11-29(21)24(31)18-7-3-4-8-19(18)25;1-16-9-11-28(13-16)23-17(2)14-30-22(26-23)12-20(27-30)21-8-3-4-10-29(21)24(32)19-7-5-6-18(15-31)25-19;1-15-8-11-28(13-15)22-16(2)14-30-20(26-22)12-18(27-30)19-7-3-4-10-29(19)23(31)21-17(24)6-5-9-25-21/h5-6,11,13,17,19-20,22,25H,3-4,7-10,12,14-16,18H2,1-2H3;5-6,8-9,11,14-15,17-18,24H,3-4,7,10,12-13,16H2,1-2H3;8-9,13-14,16-17,23H,4-7,10-12,15H2,1-3H3;3-4,7-8,13,15-16,21H,5-6,9-12,14H2,1-2H3;5-7,12,14,16,21,31H,3-4,8-11,13,15H2,1-2H3;5-6,9,12,14-15,19H,3-4,7-8,10-11,13H2,1-2H3/t20-,25-;18-,24-;17-,23-;2*16-,21-;15-,19-/m000000/s1
InChIKeyLKNZGTIRHNTJHG-FIUGJLLCSA-N
XLogP26.39
TPSA424.71 Ų
H-Bond Donors1
H-Bond Acceptors37
Rotatable Bonds23
Heavy Atoms200
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002750.89
LogP ≤ 526.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1037

Analyze (2-chlorophenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(2-cyclopentyloxyphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(5-ethylsulfonyl-2-fluorophenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(3-fluoro-2-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[6-(hydroxymethyl)-2-pyridinyl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-quinolin-6-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(2-cyclopentyloxyphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(5-ethylsulfonyl-2-fluorophenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(3-fluoro-2-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[6-(hydroxymethyl)-2-pyridinyl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-quinolin-6-ylmethanone?
The IUPAC name of (2-chlorophenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(2-cyclopentyloxyphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(5-ethylsulfonyl-2-fluorophenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(3-fluoro-2-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[6-(hydroxymethyl)-2-pyridinyl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-quinolin-6-ylmethanone (CID 159377929) is (2-chlorophenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(2-cyclopentyloxyphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(5-ethylsulfonyl-2-fluorophenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(3-fluoro-2-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[6-(hydroxymethyl)-2-pyridinyl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-quinolin-6-ylmethanone.
What is the SMILES notation for (2-chlorophenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(2-cyclopentyloxyphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(5-ethylsulfonyl-2-fluorophenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(3-fluoro-2-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[6-(hydroxymethyl)-2-pyridinyl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-quinolin-6-ylmethanone?
The canonical SMILES for (2-chlorophenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(2-cyclopentyloxyphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(5-ethylsulfonyl-2-fluorophenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(3-fluoro-2-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[6-(hydroxymethyl)-2-pyridinyl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-quinolin-6-ylmethanone is CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCCC[C@H]2c2cc3nc(N4CC[C@H](C)C4)c(C)cn3n2)c1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ccc4ncccc4c3)cc2nc1N1CC[C@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cccc(CO)n3)cc2nc1N1CC[C@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ccccc3Cl)cc2nc1N1CC[C@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ccccc3OC3CCCC3)cc2nc1N1CC[C@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ncccc3F)cc2nc1N1CC[C@H](C)C1.
What is the InChIKey of (2-chlorophenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(2-cyclopentyloxyphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(5-ethylsulfonyl-2-fluorophenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(3-fluoro-2-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[6-(hydroxymethyl)-2-pyridinyl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-quinolin-6-ylmethanone?
The InChIKey is LKNZGTIRHNTJHG-FIUGJLLCSA-N. The full InChI is InChI=1S/C29H37N5O2.C27H30N6O.C26H32FN5O3S.C24H28ClN5O.C24H30N6O2.C23H27FN6O/c1-20-14-16-32(18-20)28-21(2)19-34-27(30-28)17-24(31-34)25-12-7-8-15-33(25)29(35)23-11-5-6-13-26(23)36-22-9-3-4-10-22;1-18-10-13-31(16-18)26-19(2)17-33-25(29-26)15-23(30-33)24-7-3-4-12-32(24)27(34)21-8-9-22-20(14-21)6-5-11-28-22;1-4-36(34,35)19-8-9-21(27)20(13-19)26(33)31-11-6-5-7-23(31)22-14-24-28-25(18(3)16-32(24)29-22)30-12-10-17(2)15-30;1-16-10-12-28(14-16)23-17(2)15-30-22(26-23)13-20(27-30)21-9-5-6-11-29(21)24(31)18-7-3-4-8-19(18)25;1-16-9-11-28(13-16)23-17(2)14-30-22(26-23)12-20(27-30)21-8-3-4-10-29(21)24(32)19-7-5-6-18(15-31)25-19;1-15-8-11-28(13-15)22-16(2)14-30-20(26-22)12-18(27-30)19-7-3-4-10-29(19)23(31)21-17(24)6-5-9-25-21/h5-6,11,13,17,19-20,22,25H,3-4,7-10,12,14-16,18H2,1-2H3;5-6,8-9,11,14-15,17-18,24H,3-4,7,10,12-13,16H2,1-2H3;8-9,13-14,16-17,23H,4-7,10-12,15H2,1-3H3;3-4,7-8,13,15-16,21H,5-6,9-12,14H2,1-2H3;5-7,12,14,16,21,31H,3-4,8-11,13,15H2,1-2H3;5-6,9,12,14-15,19H,3-4,7-8,10-11,13H2,1-2H3/t20-,25-;18-,24-;17-,23-;2*16-,21-;15-,19-/m000000/s1.
What are the key properties of (2-chlorophenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(2-cyclopentyloxyphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(5-ethylsulfonyl-2-fluorophenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(3-fluoro-2-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[6-(hydroxymethyl)-2-pyridinyl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-quinolin-6-ylmethanone?
(2-chlorophenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(2-cyclopentyloxyphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(5-ethylsulfonyl-2-fluorophenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(3-fluoro-2-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[6-(hydroxymethyl)-2-pyridinyl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-quinolin-6-ylmethanone has a molecular weight of 2750.89 g/mol, XLogP of 26.39, 23 rotatable bonds, 1 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(2-cyclopentyloxyphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(5-ethylsulfonyl-2-fluorophenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(3-fluoro-2-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[6-(hydroxymethyl)-2-pyridinyl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-quinolin-6-ylmethanone is sourced from PubChem (CID 159377929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).