2-(dipropylamino)-1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone;1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]hexan-1-one;1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one;1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]-3-pyrrolidin-1-ylpropan-1-one

C137H181N31O17S4 — CID 158437557

IUPAC2-(dipropylamino)-1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone;1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]hexan-1-one;1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one;1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
SMILESCCCCCC(=O)N1CCC(c2cc(OC)c(Nc3nc(Nc4ccccc4S(=O)(=O)C(C)C)n4nccc4n3)cc2C)CC1.CCCN(CCC)CC(=O)N1CCC(c2cc(OC)c(Nc3nc(Nc4ccccc4S(=O)(=O)C(C)C)n4nccc4n3)cc2C)CC1.COc1cc(C2CCN(C(=O)CCCN3CCOCC3)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)n2nccc2n1.COc1cc(C2CCN(C(=O)CCN3CCCC3)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)n2nccc2n1
InChIInChI=1S/C35H46N8O5S.C35H48N8O4S.C34H44N8O4S.C33H43N7O4S/c1-24(2)49(45,46)31-9-6-5-8-28(31)38-35-40-34(39-32-11-14-36-43(32)35)37-29-22-25(3)27(23-30(29)47-4)26-12-16-42(17-13-26)33(44)10-7-15-41-18-20-48-21-19-41;1-7-17-41(18-8-2)23-33(44)42-19-14-26(15-20-42)27-22-30(47-6)29(21-25(27)5)37-34-39-32-13-16-36-43(32)35(40-34)38-28-11-9-10-12-31(28)48(45,46)24(3)4;1-23(2)47(44,45)30-10-6-5-9-27(30)37-34-39-33(38-31-11-15-35-42(31)34)36-28-21-24(3)26(22-29(28)46-4)25-12-19-41(20-13-25)32(43)14-18-40-16-7-8-17-40;1-6-7-8-13-31(41)39-18-15-24(16-19-39)25-21-28(44-5)27(20-23(25)4)35-32-37-30-14-17-34-40(30)33(38-32)36-26-11-9-10-12-29(26)45(42,43)22(2)3/h5-6,8-9,11,14,22-24,26H,7,10,12-13,15-21H2,1-4H3,(H2,37,38,39,40);9-13,16,21-22,24,26H,7-8,14-15,17-20,23H2,1-6H3,(H2,37,38,39,40);5-6,9-11,15,21-23,25H,7-8,12-14,16-20H2,1-4H3,(H2,36,37,38,39);9-12,14,17,20-22,24H,6-8,13,15-16,18-19H2,1-5H3,(H2,35,36,37,38)
InChIKeyHCKOCKFDNQEOKE-UHFFFAOYSA-N
MW2662.42 g/mol
LogP22.57
Rot. Bonds49

About 2-(dipropylamino)-1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone;1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]hexan-1-one;1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one;1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]-3-pyrrolidin-1-ylpropan-1-one

2-(dipropylamino)-1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone;1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]hexan-1-one;1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one;1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]-3-pyrrolidin-1-ylpropan-1-one (PubChem CID 158437557) has the molecular formula C137H181N31O17S4 and a molecular weight of 2662.42 g/mol. Its IUPAC name is 2-(dipropylamino)-1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone;1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]hexan-1-one;1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one;1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]-3-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(dipropylamino)-1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone;1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]hexan-1-one;1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one;1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
PubChem CID158437557
Molecular FormulaC137H181N31O17S4
Molecular Weight2662.42 g/mol
Exact Mass2660.31
IUPAC Name2-(dipropylamino)-1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone;1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]hexan-1-one;1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one;1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
SMILESCCCCCC(=O)N1CCC(c2cc(OC)c(Nc3nc(Nc4ccccc4S(=O)(=O)C(C)C)n4nccc4n3)cc2C)CC1.CCCN(CCC)CC(=O)N1CCC(c2cc(OC)c(Nc3nc(Nc4ccccc4S(=O)(=O)C(C)C)n4nccc4n3)cc2C)CC1.COc1cc(C2CCN(C(=O)CCCN3CCOCC3)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)n2nccc2n1.COc1cc(C2CCN(C(=O)CCN3CCCC3)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)n2nccc2n1
InChIInChI=1S/C35H46N8O5S.C35H48N8O4S.C34H44N8O4S.C33H43N7O4S/c1-24(2)49(45,46)31-9-6-5-8-28(31)38-35-40-34(39-32-11-14-36-43(32)35)37-29-22-25(3)27(23-30(29)47-4)26-12-16-42(17-13-26)33(44)10-7-15-41-18-20-48-21-19-41;1-7-17-41(18-8-2)23-33(44)42-19-14-26(15-20-42)27-22-30(47-6)29(21-25(27)5)37-34-39-32-13-16-36-43(32)35(40-34)38-28-11-9-10-12-31(28)48(45,46)24(3)4;1-23(2)47(44,45)30-10-6-5-9-27(30)37-34-39-33(38-31-11-15-35-42(31)34)36-28-21-24(3)26(22-29(28)46-4)25-12-19-41(20-13-25)32(43)14-18-40-16-7-8-17-40;1-6-7-8-13-31(41)39-18-15-24(16-19-39)25-21-28(44-5)27(20-23(25)4)35-32-37-30-14-17-34-40(30)33(38-32)36-26-11-9-10-12-29(26)45(42,43)22(2)3/h5-6,8-9,11,14,22-24,26H,7,10,12-13,15-21H2,1-4H3,(H2,37,38,39,40);9-13,16,21-22,24,26H,7-8,14-15,17-20,23H2,1-6H3,(H2,37,38,39,40);5-6,9-11,15,21-23,25H,7-8,12-14,16-20H2,1-4H3,(H2,36,37,38,39);9-12,14,17,20-22,24H,6-8,13,15-16,18-19H2,1-5H3,(H2,35,36,37,38)
InChIKeyHCKOCKFDNQEOKE-UHFFFAOYSA-N
XLogP22.57
TPSA542.23 Ų
H-Bond Donors8
H-Bond Acceptors44
Rotatable Bonds49
Heavy Atoms189
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002662.42
LogP ≤ 522.57
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(dipropylamino)-1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone;1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]hexan-1-one;1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one;1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]-3-pyrrolidin-1-ylpropan-1-one with MolForge

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Related Compounds

1-[4-[2-methyl-4-[[3-methyl-4-(2-propan-2-ylsulfonylanilino)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]-5-propan-2-yloxyphenyl]piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 44468103
[(2S,4S)-4-fluoropyrrolidin-2-yl]-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]methanone
CID 44476719
2-[(3S)-3-fluoropyrrolidin-1-yl]-1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone
CID 44477007
2-[(3R)-3-fluoropyrrolidin-1-yl]-1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone
CID 44477269
[(1S,3R)-3-fluorocyclopentyl]-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]methanone
CID 58375410
2-(dimethylamino)-1-[4-[5-methoxy-2-methyl-4-[[5-methyl-4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[3,4-d]pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]ethanone;(2S)-1,1,1-trifluoro-3-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]phenyl]piperidin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[4-[2-methyl-5-propan-2-yloxy-4-[[4-(2-propan-2-ylsulfonylanilino)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]phenyl]piperidin-1-yl]propan-2-ol
CID 160409256
3-(azetidin-1-yl)-1-[4-[2-methyl-4-[[3-methyl-4-(2-propan-2-ylsulfonylanilino)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]-5-propan-2-yloxyphenyl]piperidin-1-yl]propan-1-one;(2R)-3,3-difluoro-1-[4-[2-methyl-4-[[5-methyl-4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-5-propan-2-yloxyphenyl]piperidin-1-yl]butan-2-ol;6-N-[4-(1-ethylsulfonylpiperidin-4-yl)-5-methyl-2-propan-2-yloxyphenyl]-3-methyl-4-N-(2-propan-2-ylsulfonylphenyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 161210929
2-(Dimethylamino)-1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone
CID 44236826
3-[4-[5-Methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]propanamide
CID 44476001
2-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]-N-methylacetamide
CID 44476002
2-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone
CID 44476004
2-(Azetidin-1-yl)-1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone
CID 44476082

Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)-1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone;1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]hexan-1-one;1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one;1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]-3-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-(dipropylamino)-1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone;1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]hexan-1-one;1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one;1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]-3-pyrrolidin-1-ylpropan-1-one (CID 158437557) is 2-(dipropylamino)-1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone;1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]hexan-1-one;1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one;1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]-3-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(dipropylamino)-1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone;1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]hexan-1-one;1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one;1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]-3-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-(dipropylamino)-1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone;1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]hexan-1-one;1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one;1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]-3-pyrrolidin-1-ylpropan-1-one is CCCCCC(=O)N1CCC(c2cc(OC)c(Nc3nc(Nc4ccccc4S(=O)(=O)C(C)C)n4nccc4n3)cc2C)CC1.CCCN(CCC)CC(=O)N1CCC(c2cc(OC)c(Nc3nc(Nc4ccccc4S(=O)(=O)C(C)C)n4nccc4n3)cc2C)CC1.COc1cc(C2CCN(C(=O)CCCN3CCOCC3)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)n2nccc2n1.COc1cc(C2CCN(C(=O)CCN3CCCC3)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)n2nccc2n1.
What is the InChIKey of 2-(dipropylamino)-1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone;1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]hexan-1-one;1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one;1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]-3-pyrrolidin-1-ylpropan-1-one?
The InChIKey is HCKOCKFDNQEOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H46N8O5S.C35H48N8O4S.C34H44N8O4S.C33H43N7O4S/c1-24(2)49(45,46)31-9-6-5-8-28(31)38-35-40-34(39-32-11-14-36-43(32)35)37-29-22-25(3)27(23-30(29)47-4)26-12-16-42(17-13-26)33(44)10-7-15-41-18-20-48-21-19-41;1-7-17-41(18-8-2)23-33(44)42-19-14-26(15-20-42)27-22-30(47-6)29(21-25(27)5)37-34-39-32-13-16-36-43(32)35(40-34)38-28-11-9-10-12-31(28)48(45,46)24(3)4;1-23(2)47(44,45)30-10-6-5-9-27(30)37-34-39-33(38-31-11-15-35-42(31)34)36-28-21-24(3)26(22-29(28)46-4)25-12-19-41(20-13-25)32(43)14-18-40-16-7-8-17-40;1-6-7-8-13-31(41)39-18-15-24(16-19-39)25-21-28(44-5)27(20-23(25)4)35-32-37-30-14-17-34-40(30)33(38-32)36-26-11-9-10-12-29(26)45(42,43)22(2)3/h5-6,8-9,11,14,22-24,26H,7,10,12-13,15-21H2,1-4H3,(H2,37,38,39,40);9-13,16,21-22,24,26H,7-8,14-15,17-20,23H2,1-6H3,(H2,37,38,39,40);5-6,9-11,15,21-23,25H,7-8,12-14,16-20H2,1-4H3,(H2,36,37,38,39);9-12,14,17,20-22,24H,6-8,13,15-16,18-19H2,1-5H3,(H2,35,36,37,38).
What are the key properties of 2-(dipropylamino)-1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone;1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]hexan-1-one;1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one;1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]-3-pyrrolidin-1-ylpropan-1-one?
2-(dipropylamino)-1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone;1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]hexan-1-one;1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one;1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]-3-pyrrolidin-1-ylpropan-1-one has a molecular weight of 2662.42 g/mol, XLogP of 22.57, 49 rotatable bonds, 8 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)-1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone;1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]hexan-1-one;1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one;1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]-3-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 158437557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).