tris(N-[(1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]cyclohexane-1-carboxamide);bis(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)pyridazin-3-yl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]cyclohexane-1-carboxamide);tris(1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]-N-[(1S)-1-[6-(3-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]ethyl]cyclohexane-1-carboxamide);1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]-N-[(1S)-1-[6-(5-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]ethyl]cyclohexane-1-carboxamide;sulfane

C265H309F5N90O18S9 — CID 167567239

IUPACtris(N-[(1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]cyclohexane-1-carboxamide);bis(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)pyridazin-3-yl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]cyclohexane-1-carboxamide);tris(1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]-N-[(1S)-1-[6-(3-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]ethyl]cyclohexane-1-carboxamide);1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]-N-[(1S)-1-[6-(5-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]ethyl]cyclohexane-1-carboxamide;sulfane
SMILESCOC1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nn2)CCC(c2nc(Nc3cc(C)[nH]n3)cc3cccnc23)CC1.COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nn2)CCC(c2nc(Nc3cc(C)[nH]n3)cc3cccnc23)CC1.COC1(C(=O)N[C@@H](C)c2ccc(-n3cnc(C)n3)nc2)CCC(c2nc(Nc3cc(C)[nH]n3)cc3cccnc23)CC1.COC1(C(=O)N[C@@H](C)c2ccc(-n3cnc(C)n3)nc2)CCC(c2nc(Nc3cc(C)[nH]n3)cc3cccnc23)CC1.COC1(C(=O)N[C@@H](C)c2ccc(-n3cnc(C)n3)nc2)CCC(c2nc(Nc3cc(C)[nH]n3)cc3cccnc23)CC1.COC1(C(=O)N[C@@H](C)c2ccc(-n3ncnc3C)nc2)CCC(c2nc(Nc3cc(C)[nH]n3)cc3cccnc23)CC1.COC1(C(=O)N[C@@H](C)c2cnc(-n3cc(F)cn3)cn2)CCC(c2nc(Nc3cc(C)[nH]n3)cc3cccnc23)CC1.COC1(C(=O)N[C@@H](C)c2cnc(-n3cc(F)cn3)cn2)CCC(c2nc(Nc3cc(C)[nH]n3)cc3cccnc23)CC1.COC1(C(=O)N[C@@H](C)c2cnc(-n3cc(F)cn3)cn2)CCC(c2nc(Nc3cc(C)[nH]n3)cc3cccnc23)CC1.S.S.S.S.S.S.S.S.S
InChIInChI=1S/4C30H34N10O2.5C29H31FN10O2.9H2S/c3*1-18-14-25(38-37-18)35-24-15-22-6-5-13-31-27(22)28(36-24)21-9-11-30(42-4,12-10-21)29(41)34-19(2)23-7-8-26(32-16-23)40-17-33-20(3)39-40;1-18-14-25(39-38-18)36-24-15-22-6-5-13-31-27(22)28(37-24)21-9-11-30(42-4,12-10-21)29(41)35-19(2)23-7-8-26(32-16-23)40-20(3)33-17-34-40;3*1-17-11-24(39-38-17)36-23-12-20-5-4-10-31-26(20)27(37-23)19-6-8-29(42-3,9-7-19)28(41)35-18(2)22-14-33-25(15-32-22)40-16-21(30)13-34-40;2*1-17-13-24(38-36-17)34-23-14-20-5-4-12-31-26(20)27(35-23)19-8-10-29(42-3,11-9-19)28(41)33-18(2)22-6-7-25(39-37-22)40-16-21(30)15-32-40;;;;;;;;;/h3*5-8,13-17,19,21H,9-12H2,1-4H3,(H,34,41)(H2,35,36,37,38);5-8,13-17,19,21H,9-12H2,1-4H3,(H,35,41)(H2,36,37,38,39);3*4-5,10-16,18-19H,6-9H2,1-3H3,(H,35,41)(H2,36,37,38,39);2*4-7,12-16,18-19H,8-11H2,1-3H3,(H,33,41)(H2,34,35,36,38);9*1H2/t4*19-,21?,30?;5*18-,19?,29?;;;;;;;;;/m000000000........./s1
InChIKeyFLDQWZAFTRLXOC-NRTFZISQSA-N
MW5426.59 g/mol
LogP41.65
Rot. Bonds72

About tris(N-[(1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]cyclohexane-1-carboxamide);bis(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)pyridazin-3-yl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]cyclohexane-1-carboxamide);tris(1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]-N-[(1S)-1-[6-(3-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]ethyl]cyclohexane-1-carboxamide);1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]-N-[(1S)-1-[6-(5-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]ethyl]cyclohexane-1-carboxamide;sulfane

tris(N-[(1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]cyclohexane-1-carboxamide);bis(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)pyridazin-3-yl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]cyclohexane-1-carboxamide);tris(1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]-N-[(1S)-1-[6-(3-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]ethyl]cyclohexane-1-carboxamide);1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]-N-[(1S)-1-[6-(5-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]ethyl]cyclohexane-1-carboxamide;sulfane (PubChem CID 167567239) has the molecular formula C265H309F5N90O18S9 and a molecular weight of 5426.59 g/mol. Its IUPAC name is tris(N-[(1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]cyclohexane-1-carboxamide);bis(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)pyridazin-3-yl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]cyclohexane-1-carboxamide);tris(1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]-N-[(1S)-1-[6-(3-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]ethyl]cyclohexane-1-carboxamide);1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]-N-[(1S)-1-[6-(5-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]ethyl]cyclohexane-1-carboxamide;sulfane.

Molecular Properties

Compound Nametris(N-[(1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]cyclohexane-1-carboxamide);bis(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)pyridazin-3-yl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]cyclohexane-1-carboxamide);tris(1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]-N-[(1S)-1-[6-(3-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]ethyl]cyclohexane-1-carboxamide);1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]-N-[(1S)-1-[6-(5-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]ethyl]cyclohexane-1-carboxamide;sulfane
PubChem CID167567239
Molecular FormulaC265H309F5N90O18S9
Molecular Weight5426.59 g/mol
Exact Mass5422.34
IUPAC Nametris(N-[(1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]cyclohexane-1-carboxamide);bis(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)pyridazin-3-yl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]cyclohexane-1-carboxamide);tris(1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]-N-[(1S)-1-[6-(3-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]ethyl]cyclohexane-1-carboxamide);1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]-N-[(1S)-1-[6-(5-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]ethyl]cyclohexane-1-carboxamide;sulfane
SMILESCOC1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nn2)CCC(c2nc(Nc3cc(C)[nH]n3)cc3cccnc23)CC1.COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nn2)CCC(c2nc(Nc3cc(C)[nH]n3)cc3cccnc23)CC1.COC1(C(=O)N[C@@H](C)c2ccc(-n3cnc(C)n3)nc2)CCC(c2nc(Nc3cc(C)[nH]n3)cc3cccnc23)CC1.COC1(C(=O)N[C@@H](C)c2ccc(-n3cnc(C)n3)nc2)CCC(c2nc(Nc3cc(C)[nH]n3)cc3cccnc23)CC1.COC1(C(=O)N[C@@H](C)c2ccc(-n3cnc(C)n3)nc2)CCC(c2nc(Nc3cc(C)[nH]n3)cc3cccnc23)CC1.COC1(C(=O)N[C@@H](C)c2ccc(-n3ncnc3C)nc2)CCC(c2nc(Nc3cc(C)[nH]n3)cc3cccnc23)CC1.COC1(C(=O)N[C@@H](C)c2cnc(-n3cc(F)cn3)cn2)CCC(c2nc(Nc3cc(C)[nH]n3)cc3cccnc23)CC1.COC1(C(=O)N[C@@H](C)c2cnc(-n3cc(F)cn3)cn2)CCC(c2nc(Nc3cc(C)[nH]n3)cc3cccnc23)CC1.COC1(C(=O)N[C@@H](C)c2cnc(-n3cc(F)cn3)cn2)CCC(c2nc(Nc3cc(C)[nH]n3)cc3cccnc23)CC1.S.S.S.S.S.S.S.S.S
InChIInChI=1S/4C30H34N10O2.5C29H31FN10O2.9H2S/c3*1-18-14-25(38-37-18)35-24-15-22-6-5-13-31-27(22)28(36-24)21-9-11-30(42-4,12-10-21)29(41)34-19(2)23-7-8-26(32-16-23)40-17-33-20(3)39-40;1-18-14-25(39-38-18)36-24-15-22-6-5-13-31-27(22)28(37-24)21-9-11-30(42-4,12-10-21)29(41)35-19(2)23-7-8-26(32-16-23)40-20(3)33-17-34-40;3*1-17-11-24(39-38-17)36-23-12-20-5-4-10-31-26(20)27(37-23)19-6-8-29(42-3,9-7-19)28(41)35-18(2)22-14-33-25(15-32-22)40-16-21(30)13-34-40;2*1-17-13-24(38-36-17)34-23-14-20-5-4-12-31-26(20)27(35-23)19-8-10-29(42-3,11-9-19)28(41)33-18(2)22-6-7-25(39-37-22)40-16-21(30)15-32-40;;;;;;;;;/h3*5-8,13-17,19,21H,9-12H2,1-4H3,(H,34,41)(H2,35,36,37,38);5-8,13-17,19,21H,9-12H2,1-4H3,(H,35,41)(H2,36,37,38,39);3*4-5,10-16,18-19H,6-9H2,1-3H3,(H,35,41)(H2,36,37,38,39);2*4-7,12-16,18-19H,8-11H2,1-3H3,(H,33,41)(H2,34,35,36,38);9*1H2/t4*19-,21?,30?;5*18-,19?,29?;;;;;;;;;/m000000000........./s1
InChIKeyFLDQWZAFTRLXOC-NRTFZISQSA-N
XLogP41.65
TPSA1335.78 Ų
H-Bond Donors27
H-Bond Acceptors90
Rotatable Bonds72
Heavy Atoms387
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005426.59
LogP ≤ 541.65
H-Bond Donors ≤ 527
H-Bond Acceptors ≤ 1090

Analyze tris(N-[(1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]cyclohexane-1-carboxamide);bis(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)pyridazin-3-yl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]cyclohexane-1-carboxamide);tris(1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]-N-[(1S)-1-[6-(3-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]ethyl]cyclohexane-1-carboxamide);1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]-N-[(1S)-1-[6-(5-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]ethyl]cyclohexane-1-carboxamide;sulfane with MolForge

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Launch Full Analysis

Related Compounds

9-[4-[[5-[[4-fluoro-1-[5-[1-[9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-5-oxo-1-oxa-4-azaspiro[5.5]undecan-4-yl]ethyl]-2-pyridinyl]pyrazol-3-yl]methyl]-1H-pyrazol-3-yl]amino]-6-methylpyrimidin-2-yl]-4-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one
CID 155177277
N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]cyclohex-3-ene-1-carboxamide
CID 155329726
N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[1-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-3,4-dihydro-2H-1,7-naphthyridin-8-yl]cyclohexane-1-carboxamide
CID 155329741
N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]cyclohexane-1-carboxamide
CID 155329748
N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)pyridazin-3-yl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]cyclohexane-1-carboxamide
CID 155329768
N-[(1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]cyclohexane-1-carboxamide
CID 155329807
N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pteridin-2-yl]cyclohexane-1-carboxamide
CID 164829930
N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1H-imidazo[4,5-c]pyridin-4-yl]cyclohexane-1-carboxamide
CID 164829939
N-[(1S)-1-[6-(5-fluoro-1H-pyrazol-3-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]cyclohexane-1-carboxamide
CID 164829942
N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-7-yl]cyclohexane-1-carboxamide
CID 164829962
N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-1,7-naphthyridin-8-yl]cyclohexane-1-carboxamide
CID 164829972
N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[3,2-d]pyrimidin-2-yl]cyclohexane-1-carboxamide
CID 164829976

Frequently Asked Questions

What is the IUPAC name of tris(N-[(1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]cyclohexane-1-carboxamide);bis(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)pyridazin-3-yl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]cyclohexane-1-carboxamide);tris(1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]-N-[(1S)-1-[6-(3-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]ethyl]cyclohexane-1-carboxamide);1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]-N-[(1S)-1-[6-(5-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]ethyl]cyclohexane-1-carboxamide;sulfane?
The IUPAC name of tris(N-[(1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]cyclohexane-1-carboxamide);bis(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)pyridazin-3-yl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]cyclohexane-1-carboxamide);tris(1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]-N-[(1S)-1-[6-(3-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]ethyl]cyclohexane-1-carboxamide);1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]-N-[(1S)-1-[6-(5-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]ethyl]cyclohexane-1-carboxamide;sulfane (CID 167567239) is tris(N-[(1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]cyclohexane-1-carboxamide);bis(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)pyridazin-3-yl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]cyclohexane-1-carboxamide);tris(1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]-N-[(1S)-1-[6-(3-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]ethyl]cyclohexane-1-carboxamide);1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]-N-[(1S)-1-[6-(5-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]ethyl]cyclohexane-1-carboxamide;sulfane.
What is the SMILES notation for tris(N-[(1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]cyclohexane-1-carboxamide);bis(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)pyridazin-3-yl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]cyclohexane-1-carboxamide);tris(1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]-N-[(1S)-1-[6-(3-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]ethyl]cyclohexane-1-carboxamide);1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]-N-[(1S)-1-[6-(5-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]ethyl]cyclohexane-1-carboxamide;sulfane?
The canonical SMILES for tris(N-[(1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]cyclohexane-1-carboxamide);bis(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)pyridazin-3-yl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]cyclohexane-1-carboxamide);tris(1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]-N-[(1S)-1-[6-(3-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]ethyl]cyclohexane-1-carboxamide);1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]-N-[(1S)-1-[6-(5-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]ethyl]cyclohexane-1-carboxamide;sulfane is COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nn2)CCC(c2nc(Nc3cc(C)[nH]n3)cc3cccnc23)CC1.COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nn2)CCC(c2nc(Nc3cc(C)[nH]n3)cc3cccnc23)CC1.COC1(C(=O)N[C@@H](C)c2ccc(-n3cnc(C)n3)nc2)CCC(c2nc(Nc3cc(C)[nH]n3)cc3cccnc23)CC1.COC1(C(=O)N[C@@H](C)c2ccc(-n3cnc(C)n3)nc2)CCC(c2nc(Nc3cc(C)[nH]n3)cc3cccnc23)CC1.COC1(C(=O)N[C@@H](C)c2ccc(-n3cnc(C)n3)nc2)CCC(c2nc(Nc3cc(C)[nH]n3)cc3cccnc23)CC1.COC1(C(=O)N[C@@H](C)c2ccc(-n3ncnc3C)nc2)CCC(c2nc(Nc3cc(C)[nH]n3)cc3cccnc23)CC1.COC1(C(=O)N[C@@H](C)c2cnc(-n3cc(F)cn3)cn2)CCC(c2nc(Nc3cc(C)[nH]n3)cc3cccnc23)CC1.COC1(C(=O)N[C@@H](C)c2cnc(-n3cc(F)cn3)cn2)CCC(c2nc(Nc3cc(C)[nH]n3)cc3cccnc23)CC1.COC1(C(=O)N[C@@H](C)c2cnc(-n3cc(F)cn3)cn2)CCC(c2nc(Nc3cc(C)[nH]n3)cc3cccnc23)CC1.S.S.S.S.S.S.S.S.S.
What is the InChIKey of tris(N-[(1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]cyclohexane-1-carboxamide);bis(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)pyridazin-3-yl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]cyclohexane-1-carboxamide);tris(1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]-N-[(1S)-1-[6-(3-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]ethyl]cyclohexane-1-carboxamide);1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]-N-[(1S)-1-[6-(5-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]ethyl]cyclohexane-1-carboxamide;sulfane?
The InChIKey is FLDQWZAFTRLXOC-NRTFZISQSA-N. The full InChI is InChI=1S/4C30H34N10O2.5C29H31FN10O2.9H2S/c3*1-18-14-25(38-37-18)35-24-15-22-6-5-13-31-27(22)28(36-24)21-9-11-30(42-4,12-10-21)29(41)34-19(2)23-7-8-26(32-16-23)40-17-33-20(3)39-40;1-18-14-25(39-38-18)36-24-15-22-6-5-13-31-27(22)28(37-24)21-9-11-30(42-4,12-10-21)29(41)35-19(2)23-7-8-26(32-16-23)40-20(3)33-17-34-40;3*1-17-11-24(39-38-17)36-23-12-20-5-4-10-31-26(20)27(37-23)19-6-8-29(42-3,9-7-19)28(41)35-18(2)22-14-33-25(15-32-22)40-16-21(30)13-34-40;2*1-17-13-24(38-36-17)34-23-14-20-5-4-12-31-26(20)27(35-23)19-8-10-29(42-3,11-9-19)28(41)33-18(2)22-6-7-25(39-37-22)40-16-21(30)15-32-40;;;;;;;;;/h3*5-8,13-17,19,21H,9-12H2,1-4H3,(H,34,41)(H2,35,36,37,38);5-8,13-17,19,21H,9-12H2,1-4H3,(H,35,41)(H2,36,37,38,39);3*4-5,10-16,18-19H,6-9H2,1-3H3,(H,35,41)(H2,36,37,38,39);2*4-7,12-16,18-19H,8-11H2,1-3H3,(H,33,41)(H2,34,35,36,38);9*1H2/t4*19-,21?,30?;5*18-,19?,29?;;;;;;;;;/m000000000........./s1.
What are the key properties of tris(N-[(1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]cyclohexane-1-carboxamide);bis(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)pyridazin-3-yl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]cyclohexane-1-carboxamide);tris(1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]-N-[(1S)-1-[6-(3-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]ethyl]cyclohexane-1-carboxamide);1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]-N-[(1S)-1-[6-(5-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]ethyl]cyclohexane-1-carboxamide;sulfane?
tris(N-[(1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]cyclohexane-1-carboxamide);bis(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)pyridazin-3-yl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]cyclohexane-1-carboxamide);tris(1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]-N-[(1S)-1-[6-(3-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]ethyl]cyclohexane-1-carboxamide);1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]-N-[(1S)-1-[6-(5-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]ethyl]cyclohexane-1-carboxamide;sulfane has a molecular weight of 5426.59 g/mol, XLogP of 41.65, 72 rotatable bonds, 27 hydrogen bond donors, and 90 hydrogen bond acceptors.
Where does this data come from?
All data for tris(N-[(1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]cyclohexane-1-carboxamide);bis(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)pyridazin-3-yl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]cyclohexane-1-carboxamide);tris(1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]-N-[(1S)-1-[6-(3-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]ethyl]cyclohexane-1-carboxamide);1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]-N-[(1S)-1-[6-(5-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]ethyl]cyclohexane-1-carboxamide;sulfane is sourced from PubChem (CID 167567239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).