[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(triazolo[1,5-a]pyridin-7-yl)methanone;2,3-dihydro-1-benzofuran-7-yl-[(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]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone

C73H86N22O4 — CID 158769412

IUPAC[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(triazolo[1,5-a]pyridin-7-yl)methanone;2,3-dihydro-1-benzofuran-7-yl-[(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]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
SMILESCc1cn2nc([C@@H]3CCCCN3C(=O)c3cc4ncccn4n3)cc2nc1N1CC[C@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cccc4c3OCC4)cc2nc1N1CC[C@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cccc4cnnn34)cc2nc1N1CC[C@H](N)C1
InChIInChI=1S/C26H31N5O2.C24H28N8O.C23H27N9O/c1-17-9-12-29(15-17)25-18(2)16-31-23(27-25)14-21(28-31)22-8-3-4-11-30(22)26(32)20-7-5-6-19-10-13-33-24(19)20;1-16-7-11-29(14-16)23-17(2)15-32-22(26-23)12-18(27-32)20-6-3-4-9-30(20)24(33)19-13-21-25-8-5-10-31(21)28-19;1-15-13-31-21(26-22(15)29-10-8-16(24)14-29)11-18(27-31)19-6-2-3-9-30(19)23(33)20-7-4-5-17-12-25-28-32(17)20/h5-7,14,16-17,22H,3-4,8-13,15H2,1-2H3;5,8,10,12-13,15-16,20H,3-4,6-7,9,11,14H2,1-2H3;4-5,7,11-13,16,19H,2-3,6,8-10,14,24H2,1H3/t17-,22-;16-,20-;16-,19-/m000/s1
InChIKeyIPRGEMXBISHIHM-XJXANPJFSA-N
MW1335.64 g/mol
LogP9.47
Rot. Bonds9

About [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(triazolo[1,5-a]pyridin-7-yl)methanone;2,3-dihydro-1-benzofuran-7-yl-[(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]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone

[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(triazolo[1,5-a]pyridin-7-yl)methanone;2,3-dihydro-1-benzofuran-7-yl-[(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]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone (PubChem CID 158769412) has the molecular formula C73H86N22O4 and a molecular weight of 1335.64 g/mol. Its IUPAC name is [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(triazolo[1,5-a]pyridin-7-yl)methanone;2,3-dihydro-1-benzofuran-7-yl-[(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]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(triazolo[1,5-a]pyridin-7-yl)methanone;2,3-dihydro-1-benzofuran-7-yl-[(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]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
PubChem CID158769412
Molecular FormulaC73H86N22O4
Molecular Weight1335.64 g/mol
Exact Mass1334.72
IUPAC Name[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(triazolo[1,5-a]pyridin-7-yl)methanone;2,3-dihydro-1-benzofuran-7-yl-[(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]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
SMILESCc1cn2nc([C@@H]3CCCCN3C(=O)c3cc4ncccn4n3)cc2nc1N1CC[C@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cccc4c3OCC4)cc2nc1N1CC[C@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cccc4cnnn34)cc2nc1N1CC[C@H](N)C1
InChIInChI=1S/C26H31N5O2.C24H28N8O.C23H27N9O/c1-17-9-12-29(15-17)25-18(2)16-31-23(27-25)14-21(28-31)22-8-3-4-11-30(22)26(32)20-7-5-6-19-10-13-33-24(19)20;1-16-7-11-29(14-16)23-17(2)15-32-22(26-23)12-18(27-32)20-6-3-4-9-30(20)24(33)19-13-21-25-8-5-10-31(21)28-19;1-15-13-31-21(26-22(15)29-10-8-16(24)14-29)11-18(27-31)19-6-2-3-9-30(19)23(33)20-7-4-5-17-12-25-28-32(17)20/h5-7,14,16-17,22H,3-4,8-13,15H2,1-2H3;5,8,10,12-13,15-16,20H,3-4,6-7,9,11,14H2,1-2H3;4-5,7,11-13,16,19H,2-3,6,8-10,14,24H2,1H3/t17-,22-;16-,20-;16-,19-/m000/s1
InChIKeyIPRGEMXBISHIHM-XJXANPJFSA-N
XLogP9.47
TPSA256.85 Ų
H-Bond Donors1
H-Bond Acceptors23
Rotatable Bonds9
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001335.64
LogP ≤ 59.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1023

Analyze [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(triazolo[1,5-a]pyridin-7-yl)methanone;2,3-dihydro-1-benzofuran-7-yl-[(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]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone with MolForge

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Related Compounds

N-[4-[1-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxynonanoyl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]-6-(1H-pyrrol-3-yl)pyridine-2-carboxamide
CID 166637166
N'-[(3R)-1-[4-[[(1S)-1-(3-fluoro-1-benzofuran-7-yl)ethyl]amino]-2-methylpyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-yl]-N-[(3R)-1-[2-methyl-4-[1-(2-pyrazol-1-ylphenyl)ethylamino]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-yl]butanediamide
CID 156275809
(3S,4R)-1-[2-[(2S)-1-(5-tert-butyl-2-methoxybenzoyl)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-(2,3-difluoro-4-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-[4-methyl-2-(trifluoromethyl)benzoyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-[5-methyl-2-(trifluoromethyl)benzoyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile
CID 157107622
1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]-2-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]-2-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]-2-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]-2-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;2-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]ethanone
CID 157134788
3-[4-(1,1-difluoroethoxy)phenyl]-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]propan-1-one;N-[[6-(4-ethynylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]pyridine-2-carboxamide
CID 157473086
1-[4-(4-Methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone
CID 157514155
4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;N-(1-methylpiperidin-4-yl)-4-[[8-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-morpholin-4-ylethyl)-4-[[8-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(piperidin-4-ylmethyl)-4-[[8-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[8-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 157542731
2-[4-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-[3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylphenyl]ethanone;4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-[2-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-pyridinyl]-3-(trifluoromethyl)benzamide;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-[4-(2-pyrrolidin-1-ylethoxy)-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone
CID 157572711
(2,6-difluoro-3-methylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(2-fluoro-4-methoxyphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[5-fluoro-2-(trifluoromethoxy)phenyl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;1H-indazol-7-yl-[(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]-(1,6-naphthyridin-2-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-pyrazolo[1,5-a]pyridin-7-ylmethanone
CID 157601092
4-[[3-(1,1-difluoroethyl)phenyl]methyl]-2-(3,5-dimethylpyrazol-1-yl)-6-[(2-methyltriazol-4-yl)methoxy]pyrimidine;4-[[3-(1,1-difluoroethyl)phenyl]methyl]-2-(3,5-dimethylpyrazol-1-yl)-6-[(3-methyltriazol-4-yl)methoxy]pyrimidine;(3R)-3-[[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]-4-methylpentan-2-one;[6-methyl-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 157760788
2-(2-fluoropropan-2-yl)-N-[6-methyl-5-(1-methyl-7-morpholin-4-ylpyrazolo[4,5-d]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-[[(2S)-pyrrolidin-2-yl]methoxy]-4-pyridinyl]phenyl]pyridine-4-carboxamide;N-[6-methyl-5-(1-methyl-7-morpholin-4-ylpyrazolo[4,5-d]pyrimidin-5-yl)-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-[2-morpholin-4-yl-6-[[(2S)-pyrrolidin-2-yl]methoxy]-4-pyridinyl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[4-methyl-3-[2-morpholin-4-yl-6-[[(2S)-pyrrolidin-2-yl]methoxy]-4-pyridinyl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 157812885
CID 157870516
CID 157870516

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(triazolo[1,5-a]pyridin-7-yl)methanone;2,3-dihydro-1-benzofuran-7-yl-[(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]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone?
The IUPAC name of [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(triazolo[1,5-a]pyridin-7-yl)methanone;2,3-dihydro-1-benzofuran-7-yl-[(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]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone (CID 158769412) is [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(triazolo[1,5-a]pyridin-7-yl)methanone;2,3-dihydro-1-benzofuran-7-yl-[(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]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone.
What is the SMILES notation for [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(triazolo[1,5-a]pyridin-7-yl)methanone;2,3-dihydro-1-benzofuran-7-yl-[(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]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone?
The canonical SMILES for [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(triazolo[1,5-a]pyridin-7-yl)methanone;2,3-dihydro-1-benzofuran-7-yl-[(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]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone is Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc4ncccn4n3)cc2nc1N1CC[C@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cccc4c3OCC4)cc2nc1N1CC[C@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cccc4cnnn34)cc2nc1N1CC[C@H](N)C1.
What is the InChIKey of [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(triazolo[1,5-a]pyridin-7-yl)methanone;2,3-dihydro-1-benzofuran-7-yl-[(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]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone?
The InChIKey is IPRGEMXBISHIHM-XJXANPJFSA-N. The full InChI is InChI=1S/C26H31N5O2.C24H28N8O.C23H27N9O/c1-17-9-12-29(15-17)25-18(2)16-31-23(27-25)14-21(28-31)22-8-3-4-11-30(22)26(32)20-7-5-6-19-10-13-33-24(19)20;1-16-7-11-29(14-16)23-17(2)15-32-22(26-23)12-18(27-32)20-6-3-4-9-30(20)24(33)19-13-21-25-8-5-10-31(21)28-19;1-15-13-31-21(26-22(15)29-10-8-16(24)14-29)11-18(27-31)19-6-2-3-9-30(19)23(33)20-7-4-5-17-12-25-28-32(17)20/h5-7,14,16-17,22H,3-4,8-13,15H2,1-2H3;5,8,10,12-13,15-16,20H,3-4,6-7,9,11,14H2,1-2H3;4-5,7,11-13,16,19H,2-3,6,8-10,14,24H2,1H3/t17-,22-;16-,20-;16-,19-/m000/s1.
What are the key properties of [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(triazolo[1,5-a]pyridin-7-yl)methanone;2,3-dihydro-1-benzofuran-7-yl-[(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]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone?
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(triazolo[1,5-a]pyridin-7-yl)methanone;2,3-dihydro-1-benzofuran-7-yl-[(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]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone has a molecular weight of 1335.64 g/mol, XLogP of 9.47, 9 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(triazolo[1,5-a]pyridin-7-yl)methanone;2,3-dihydro-1-benzofuran-7-yl-[(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]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone is sourced from PubChem (CID 158769412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).