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);tris(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(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]cyclohexane-1-carboxamide);methane;sulfane

C266H308F9N87O18S9 — CID 167611511

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);tris(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(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-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)c3ccccc3n2)CC1.COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nc2)CCC(c2nc(Nc3cc(C)[nH]n3)c3ccccc3n2)CC1.COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nc2)CCC(c2nc(Nc3cc(C)[nH]n3)c3ccccc3n2)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(-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)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/3C30H32FN9O2.6C29H31FN10O2.2CH4.9H2S/c3*1-18-14-25(39-38-18)36-28-23-6-4-5-7-24(23)35-27(37-28)20-10-12-30(42-3,13-11-20)29(41)34-19(2)21-8-9-26(32-15-21)40-17-22(31)16-33-40;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;3*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*4-9,14-17,19-20H,10-13H2,1-3H3,(H,34,41)(H2,35,36,37,38,39);3*4-5,10-16,18-19H,6-9H2,1-3H3,(H,35,41)(H2,36,37,38,39);3*4-7,12-16,18-19H,8-11H2,1-3H3,(H,33,41)(H2,34,35,36,38);2*1H4;9*1H2/t3*19-,20?,30?;6*18-,19?,29?;;;;;;;;;;;/m000000000.........../s1
InChIKeyLCTZDUBZOBOMSL-LWVYFOOVSA-N
MW5471.57 g/mol
LogP44.06
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);tris(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(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]cyclohexane-1-carboxamide);methane;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);tris(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(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]cyclohexane-1-carboxamide);methane;sulfane (PubChem CID 167611511) has the molecular formula C266H308F9N87O18S9 and a molecular weight of 5471.57 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);tris(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(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]cyclohexane-1-carboxamide);methane;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);tris(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(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]cyclohexane-1-carboxamide);methane;sulfane
PubChem CID167611511
Molecular FormulaC266H308F9N87O18S9
Molecular Weight5471.57 g/mol
Exact Mass5467.32
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);tris(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(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-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)c3ccccc3n2)CC1.COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nc2)CCC(c2nc(Nc3cc(C)[nH]n3)c3ccccc3n2)CC1.COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nc2)CCC(c2nc(Nc3cc(C)[nH]n3)c3ccccc3n2)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(-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)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/3C30H32FN9O2.6C29H31FN10O2.2CH4.9H2S/c3*1-18-14-25(39-38-18)36-28-23-6-4-5-7-24(23)35-27(37-28)20-10-12-30(42-3,13-11-20)29(41)34-19(2)21-8-9-26(32-15-21)40-17-22(31)16-33-40;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;3*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*4-9,14-17,19-20H,10-13H2,1-3H3,(H,34,41)(H2,35,36,37,38,39);3*4-5,10-16,18-19H,6-9H2,1-3H3,(H,35,41)(H2,36,37,38,39);3*4-7,12-16,18-19H,8-11H2,1-3H3,(H,33,41)(H2,34,35,36,38);2*1H4;9*1H2/t3*19-,20?,30?;6*18-,19?,29?;;;;;;;;;;;/m000000000.........../s1
InChIKeyLCTZDUBZOBOMSL-LWVYFOOVSA-N
XLogP44.06
TPSA1297.11 Ų
H-Bond Donors27
H-Bond Acceptors87
Rotatable Bonds72
Heavy Atoms389
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005471.57
LogP ≤ 544.06
H-Bond Donors ≤ 527
H-Bond Acceptors ≤ 1087

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);tris(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(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]cyclohexane-1-carboxamide);methane;sulfane with MolForge

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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-[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
4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxycyclohexane-1-carboxamide
CID 155753750
N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]cyclohexane-1-carboxamide
CID 164829918
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-(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-[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
N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxamide
CID 164830002

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);tris(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(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]cyclohexane-1-carboxamide);methane;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);tris(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(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]cyclohexane-1-carboxamide);methane;sulfane (CID 167611511) 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);tris(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(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]cyclohexane-1-carboxamide);methane;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);tris(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(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]cyclohexane-1-carboxamide);methane;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);tris(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(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-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)c3ccccc3n2)CC1.COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nc2)CCC(c2nc(Nc3cc(C)[nH]n3)c3ccccc3n2)CC1.COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nc2)CCC(c2nc(Nc3cc(C)[nH]n3)c3ccccc3n2)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(-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)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);tris(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(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]cyclohexane-1-carboxamide);methane;sulfane?
The InChIKey is LCTZDUBZOBOMSL-LWVYFOOVSA-N. The full InChI is InChI=1S/3C30H32FN9O2.6C29H31FN10O2.2CH4.9H2S/c3*1-18-14-25(39-38-18)36-28-23-6-4-5-7-24(23)35-27(37-28)20-10-12-30(42-3,13-11-20)29(41)34-19(2)21-8-9-26(32-15-21)40-17-22(31)16-33-40;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;3*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*4-9,14-17,19-20H,10-13H2,1-3H3,(H,34,41)(H2,35,36,37,38,39);3*4-5,10-16,18-19H,6-9H2,1-3H3,(H,35,41)(H2,36,37,38,39);3*4-7,12-16,18-19H,8-11H2,1-3H3,(H,33,41)(H2,34,35,36,38);2*1H4;9*1H2/t3*19-,20?,30?;6*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);tris(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(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]cyclohexane-1-carboxamide);methane;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);tris(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(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]cyclohexane-1-carboxamide);methane;sulfane has a molecular weight of 5471.57 g/mol, XLogP of 44.06, 72 rotatable bonds, 27 hydrogen bond donors, and 87 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);tris(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(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]cyclohexane-1-carboxamide);methane;sulfane is sourced from PubChem (CID 167611511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).