tris(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[3-[(5-methyl-1H-pyrazol-3-yl)amino]-8-oxo-7H-2,7-naphthyridin-1-yl]cyclohexane-1-carboxamide);tris(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxamide);tris(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[7-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[3,4-b]pyrazin-5-yl]cyclohexane-1-carboxamide);methane;sulfane

C266H308F9N87O24S9 — CID 167695056

IUPACtris(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[3-[(5-methyl-1H-pyrazol-3-yl)amino]-8-oxo-7H-2,7-naphthyridin-1-yl]cyclohexane-1-carboxamide);tris(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxamide);tris(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[7-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[3,4-b]pyrazin-5-yl]cyclohexane-1-carboxamide);methane;sulfane
SMILESC.C.COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nc2)CCC(c2nc(Nc3cc(C)[nH]n3)cc3c(=O)[nH]cnc23)CC1.COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nc2)CCC(c2nc(Nc3cc(C)[nH]n3)cc3c(=O)[nH]cnc23)CC1.COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nc2)CCC(c2nc(Nc3cc(C)[nH]n3)cc3c(=O)[nH]cnc23)CC1.COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nc2)CCC(c2nc(Nc3cc(C)[nH]n3)cc3cc[nH]c(=O)c23)CC1.COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nc2)CCC(c2nc(Nc3cc(C)[nH]n3)cc3cc[nH]c(=O)c23)CC1.COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nc2)CCC(c2nc(Nc3cc(C)[nH]n3)cc3cc[nH]c(=O)c23)CC1.COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nc2)CCC(c2nc(Nc3cc(C)[nH]n3)cc3nccnc23)CC1.COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nc2)CCC(c2nc(Nc3cc(C)[nH]n3)cc3nccnc23)CC1.COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nc2)CCC(c2nc(Nc3cc(C)[nH]n3)cc3nccnc23)CC1.S.S.S.S.S.S.S.S.S
InChIInChI=1S/3C30H32FN9O3.3C29H31FN10O3.3C29H31FN10O2.2CH4.9H2S/c3*1-17-12-24(39-38-17)36-23-13-20-8-11-32-28(41)26(20)27(37-23)19-6-9-30(43-3,10-7-19)29(42)35-18(2)21-4-5-25(33-14-21)40-16-22(31)15-34-40;3*1-16-10-23(39-38-16)36-22-11-21-26(32-15-33-27(21)41)25(37-22)18-6-8-29(43-3,9-7-18)28(42)35-17(2)19-4-5-24(31-12-19)40-14-20(30)13-34-40;3*1-17-12-24(39-38-17)36-23-13-22-27(32-11-10-31-22)26(37-23)19-6-8-29(42-3,9-7-19)28(41)35-18(2)20-4-5-25(33-14-20)40-16-21(30)15-34-40;;;;;;;;;;;/h3*4-5,8,11-16,18-19H,6-7,9-10H2,1-3H3,(H,32,41)(H,35,42)(H2,36,37,38,39);3*4-5,10-15,17-18H,6-9H2,1-3H3,(H,35,42)(H,32,33,41)(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*1H4;9*1H2/t3*18-,19?,30?;3*17-,18?,29?;3*18-,19?,29?;;;;;;;;;;;/m000000000.........../s1
InChIKeyXNJBBWORHUWKHC-DIILNZKESA-N
MW5567.56 g/mol
LogP39.82
Rot. Bonds72

About tris(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[3-[(5-methyl-1H-pyrazol-3-yl)amino]-8-oxo-7H-2,7-naphthyridin-1-yl]cyclohexane-1-carboxamide);tris(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxamide);tris(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[7-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[3,4-b]pyrazin-5-yl]cyclohexane-1-carboxamide);methane;sulfane

tris(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[3-[(5-methyl-1H-pyrazol-3-yl)amino]-8-oxo-7H-2,7-naphthyridin-1-yl]cyclohexane-1-carboxamide);tris(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxamide);tris(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[7-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[3,4-b]pyrazin-5-yl]cyclohexane-1-carboxamide);methane;sulfane (PubChem CID 167695056) has the molecular formula C266H308F9N87O24S9 and a molecular weight of 5567.56 g/mol. Its IUPAC name is tris(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[3-[(5-methyl-1H-pyrazol-3-yl)amino]-8-oxo-7H-2,7-naphthyridin-1-yl]cyclohexane-1-carboxamide);tris(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxamide);tris(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[7-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[3,4-b]pyrazin-5-yl]cyclohexane-1-carboxamide);methane;sulfane.

Molecular Properties

Compound Nametris(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[3-[(5-methyl-1H-pyrazol-3-yl)amino]-8-oxo-7H-2,7-naphthyridin-1-yl]cyclohexane-1-carboxamide);tris(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxamide);tris(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[7-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[3,4-b]pyrazin-5-yl]cyclohexane-1-carboxamide);methane;sulfane
PubChem CID167695056
Molecular FormulaC266H308F9N87O24S9
Molecular Weight5567.56 g/mol
Exact Mass5563.29
IUPAC Nametris(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[3-[(5-methyl-1H-pyrazol-3-yl)amino]-8-oxo-7H-2,7-naphthyridin-1-yl]cyclohexane-1-carboxamide);tris(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxamide);tris(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[7-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[3,4-b]pyrazin-5-yl]cyclohexane-1-carboxamide);methane;sulfane
SMILESC.C.COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nc2)CCC(c2nc(Nc3cc(C)[nH]n3)cc3c(=O)[nH]cnc23)CC1.COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nc2)CCC(c2nc(Nc3cc(C)[nH]n3)cc3c(=O)[nH]cnc23)CC1.COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nc2)CCC(c2nc(Nc3cc(C)[nH]n3)cc3c(=O)[nH]cnc23)CC1.COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nc2)CCC(c2nc(Nc3cc(C)[nH]n3)cc3cc[nH]c(=O)c23)CC1.COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nc2)CCC(c2nc(Nc3cc(C)[nH]n3)cc3cc[nH]c(=O)c23)CC1.COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nc2)CCC(c2nc(Nc3cc(C)[nH]n3)cc3cc[nH]c(=O)c23)CC1.COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nc2)CCC(c2nc(Nc3cc(C)[nH]n3)cc3nccnc23)CC1.COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nc2)CCC(c2nc(Nc3cc(C)[nH]n3)cc3nccnc23)CC1.COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nc2)CCC(c2nc(Nc3cc(C)[nH]n3)cc3nccnc23)CC1.S.S.S.S.S.S.S.S.S
InChIInChI=1S/3C30H32FN9O3.3C29H31FN10O3.3C29H31FN10O2.2CH4.9H2S/c3*1-17-12-24(39-38-17)36-23-13-20-8-11-32-28(41)26(20)27(37-23)19-6-9-30(43-3,10-7-19)29(42)35-18(2)21-4-5-25(33-14-21)40-16-22(31)15-34-40;3*1-16-10-23(39-38-16)36-22-11-21-26(32-15-33-27(21)41)25(37-22)18-6-8-29(43-3,9-7-18)28(42)35-17(2)19-4-5-24(31-12-19)40-14-20(30)13-34-40;3*1-17-12-24(39-38-17)36-23-13-22-27(32-11-10-31-22)26(37-23)19-6-8-29(42-3,9-7-19)28(41)35-18(2)20-4-5-25(33-14-20)40-16-21(30)15-34-40;;;;;;;;;;;/h3*4-5,8,11-16,18-19H,6-7,9-10H2,1-3H3,(H,32,41)(H,35,42)(H2,36,37,38,39);3*4-5,10-15,17-18H,6-9H2,1-3H3,(H,35,42)(H,32,33,41)(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*1H4;9*1H2/t3*18-,19?,30?;3*17-,18?,29?;3*18-,19?,29?;;;;;;;;;;;/m000000000.........../s1
InChIKeyXNJBBWORHUWKHC-DIILNZKESA-N
XLogP39.82
TPSA1416.93 Ų
H-Bond Donors33
H-Bond Acceptors87
Rotatable Bonds72
Heavy Atoms395
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005567.56
LogP ≤ 539.82
H-Bond Donors ≤ 533
H-Bond Acceptors ≤ 1087

Analyze tris(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[3-[(5-methyl-1H-pyrazol-3-yl)amino]-8-oxo-7H-2,7-naphthyridin-1-yl]cyclohexane-1-carboxamide);tris(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxamide);tris(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[7-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[3,4-b]pyrazin-5-yl]cyclohexane-1-carboxamide);methane;sulfane with MolForge

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Frequently Asked Questions

What is the IUPAC name of tris(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[3-[(5-methyl-1H-pyrazol-3-yl)amino]-8-oxo-7H-2,7-naphthyridin-1-yl]cyclohexane-1-carboxamide);tris(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxamide);tris(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[7-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[3,4-b]pyrazin-5-yl]cyclohexane-1-carboxamide);methane;sulfane?
The IUPAC name of tris(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[3-[(5-methyl-1H-pyrazol-3-yl)amino]-8-oxo-7H-2,7-naphthyridin-1-yl]cyclohexane-1-carboxamide);tris(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxamide);tris(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[7-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[3,4-b]pyrazin-5-yl]cyclohexane-1-carboxamide);methane;sulfane (CID 167695056) is tris(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[3-[(5-methyl-1H-pyrazol-3-yl)amino]-8-oxo-7H-2,7-naphthyridin-1-yl]cyclohexane-1-carboxamide);tris(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxamide);tris(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[7-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[3,4-b]pyrazin-5-yl]cyclohexane-1-carboxamide);methane;sulfane.
What is the SMILES notation for tris(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[3-[(5-methyl-1H-pyrazol-3-yl)amino]-8-oxo-7H-2,7-naphthyridin-1-yl]cyclohexane-1-carboxamide);tris(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxamide);tris(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[7-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[3,4-b]pyrazin-5-yl]cyclohexane-1-carboxamide);methane;sulfane?
The canonical SMILES for tris(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[3-[(5-methyl-1H-pyrazol-3-yl)amino]-8-oxo-7H-2,7-naphthyridin-1-yl]cyclohexane-1-carboxamide);tris(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxamide);tris(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[7-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[3,4-b]pyrazin-5-yl]cyclohexane-1-carboxamide);methane;sulfane is C.C.COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nc2)CCC(c2nc(Nc3cc(C)[nH]n3)cc3c(=O)[nH]cnc23)CC1.COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nc2)CCC(c2nc(Nc3cc(C)[nH]n3)cc3c(=O)[nH]cnc23)CC1.COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nc2)CCC(c2nc(Nc3cc(C)[nH]n3)cc3c(=O)[nH]cnc23)CC1.COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nc2)CCC(c2nc(Nc3cc(C)[nH]n3)cc3cc[nH]c(=O)c23)CC1.COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nc2)CCC(c2nc(Nc3cc(C)[nH]n3)cc3cc[nH]c(=O)c23)CC1.COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nc2)CCC(c2nc(Nc3cc(C)[nH]n3)cc3cc[nH]c(=O)c23)CC1.COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nc2)CCC(c2nc(Nc3cc(C)[nH]n3)cc3nccnc23)CC1.COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nc2)CCC(c2nc(Nc3cc(C)[nH]n3)cc3nccnc23)CC1.COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nc2)CCC(c2nc(Nc3cc(C)[nH]n3)cc3nccnc23)CC1.S.S.S.S.S.S.S.S.S.
What is the InChIKey of tris(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[3-[(5-methyl-1H-pyrazol-3-yl)amino]-8-oxo-7H-2,7-naphthyridin-1-yl]cyclohexane-1-carboxamide);tris(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxamide);tris(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[7-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[3,4-b]pyrazin-5-yl]cyclohexane-1-carboxamide);methane;sulfane?
The InChIKey is XNJBBWORHUWKHC-DIILNZKESA-N. The full InChI is InChI=1S/3C30H32FN9O3.3C29H31FN10O3.3C29H31FN10O2.2CH4.9H2S/c3*1-17-12-24(39-38-17)36-23-13-20-8-11-32-28(41)26(20)27(37-23)19-6-9-30(43-3,10-7-19)29(42)35-18(2)21-4-5-25(33-14-21)40-16-22(31)15-34-40;3*1-16-10-23(39-38-16)36-22-11-21-26(32-15-33-27(21)41)25(37-22)18-6-8-29(43-3,9-7-18)28(42)35-17(2)19-4-5-24(31-12-19)40-14-20(30)13-34-40;3*1-17-12-24(39-38-17)36-23-13-22-27(32-11-10-31-22)26(37-23)19-6-8-29(42-3,9-7-19)28(41)35-18(2)20-4-5-25(33-14-20)40-16-21(30)15-34-40;;;;;;;;;;;/h3*4-5,8,11-16,18-19H,6-7,9-10H2,1-3H3,(H,32,41)(H,35,42)(H2,36,37,38,39);3*4-5,10-15,17-18H,6-9H2,1-3H3,(H,35,42)(H,32,33,41)(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*1H4;9*1H2/t3*18-,19?,30?;3*17-,18?,29?;3*18-,19?,29?;;;;;;;;;;;/m000000000.........../s1.
What are the key properties of tris(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[3-[(5-methyl-1H-pyrazol-3-yl)amino]-8-oxo-7H-2,7-naphthyridin-1-yl]cyclohexane-1-carboxamide);tris(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxamide);tris(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[7-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[3,4-b]pyrazin-5-yl]cyclohexane-1-carboxamide);methane;sulfane?
tris(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[3-[(5-methyl-1H-pyrazol-3-yl)amino]-8-oxo-7H-2,7-naphthyridin-1-yl]cyclohexane-1-carboxamide);tris(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxamide);tris(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[7-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[3,4-b]pyrazin-5-yl]cyclohexane-1-carboxamide);methane;sulfane has a molecular weight of 5567.56 g/mol, XLogP of 39.82, 72 rotatable bonds, 33 hydrogen bond donors, and 87 hydrogen bond acceptors.
Where does this data come from?
All data for tris(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[3-[(5-methyl-1H-pyrazol-3-yl)amino]-8-oxo-7H-2,7-naphthyridin-1-yl]cyclohexane-1-carboxamide);tris(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxamide);tris(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[7-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[3,4-b]pyrazin-5-yl]cyclohexane-1-carboxamide);methane;sulfane is sourced from PubChem (CID 167695056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).