CID 162245493

C177H125F9N52OPt6 — CID 162245493

IUPAC—
SMILESCC(C)(c1ccc(-c2ccccc2)c(-n2[c-]cnc2)n1)c1ccc(-c2ccccc2)c(-n2[c-]cnc2)n1.CC(C)(c1ccc(-c2ccccc2)c(-n2[c-]ncc2)n1)c1ccc(-c2ccccc2)c(-n2[c-]ncc2)n1.CC(C)(c1ccc(-n2ccnc2)c(-n2[c-]cnc2)n1)c1ccc(-n2ccnc2)c(-n2[c-]cnc2)n1.Cc1c[c-]n(-c2nc(N(c3ccccc3)c3ccc(-c4cnccn4)c(-n4[c-]cc(C(F)(F)F)n4)n3)ccc2-c2cnccn2)n1.Cc1c[c-]n(-c2nc(N(c3ccccc3)c3ccc(-n4ccc(C(F)(F)F)n4)c(-n4[c-]cc(C(F)(F)F)n4)n3)ccc2-n2ccc(C)n2)n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1ncnn1-c1nc(Oc2ccc(-c3ccccc3)c(-n3[c-]ncn3)n2)ccc1-c1ccccc1
InChIInChI=1S/C32H21F6N11.C32H20F3N11.2C31H24N6.C26H16N8O.C25H20N10.6Pt/c1-20-12-16-45(41-20)23-8-10-27(39-29(23)47-17-13-21(2)42-47)49(22-6-4-3-5-7-22)28-11-9-24(46-18-14-25(43-46)31(33,34)35)30(40-28)48-19-15-26(44-48)32(36,37)38;1-21-11-17-44(42-21)30-23(25-19-36-13-15-38-25)7-9-28(40-30)46(22-5-3-2-4-6-22)29-10-8-24(26-20-37-14-16-39-26)31(41-29)45-18-12-27(43-45)32(33,34)35;2*1-31(2,27-15-13-25(23-9-5-3-6-10-23)29(34-27)36-19-17-32-21-36)28-16-14-26(24-11-7-4-8-12-24)30(35-28)37-20-18-33-22-37;1-3-7-19(8-4-1)21-11-13-23(31-25(21)33-17-27-15-29-33)35-24-14-12-22(20-9-5-2-6-10-20)26(32-24)34-18-28-16-30-34;1-25(2,21-5-3-19(32-11-7-26-15-32)23(30-21)34-13-9-28-17-34)22-6-4-20(33-12-8-27-16-33)24(31-22)35-14-10-29-18-35;;;;;;/h3-16,18H,1-2H3;2-16,19-20H,1H3;3-18,21-22H,1-2H3;3-20H,1-2H3;1-16H;3-12,15-18H,1-2H3;;;;;;/q6*-2;6*+2
InChIKeySZLVERWBNOPOGB-UHFFFAOYSA-N
MW4337.76 g/mol
LogP32.82
Rot. Bonds38

About CID 162245493

CID 162245493 (PubChem CID 162245493) has the molecular formula C177H125F9N52OPt6 and a molecular weight of 4337.76 g/mol.

Molecular Properties

Compound NameCID 162245493
PubChem CID162245493
Molecular FormulaC177H125F9N52OPt6
Molecular Weight4337.76 g/mol
Exact Mass4334.91
IUPAC Name—
SMILESCC(C)(c1ccc(-c2ccccc2)c(-n2[c-]cnc2)n1)c1ccc(-c2ccccc2)c(-n2[c-]cnc2)n1.CC(C)(c1ccc(-c2ccccc2)c(-n2[c-]ncc2)n1)c1ccc(-c2ccccc2)c(-n2[c-]ncc2)n1.CC(C)(c1ccc(-n2ccnc2)c(-n2[c-]cnc2)n1)c1ccc(-n2ccnc2)c(-n2[c-]cnc2)n1.Cc1c[c-]n(-c2nc(N(c3ccccc3)c3ccc(-c4cnccn4)c(-n4[c-]cc(C(F)(F)F)n4)n3)ccc2-c2cnccn2)n1.Cc1c[c-]n(-c2nc(N(c3ccccc3)c3ccc(-n4ccc(C(F)(F)F)n4)c(-n4[c-]cc(C(F)(F)F)n4)n3)ccc2-n2ccc(C)n2)n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1ncnn1-c1nc(Oc2ccc(-c3ccccc3)c(-n3[c-]ncn3)n2)ccc1-c1ccccc1
InChIInChI=1S/C32H21F6N11.C32H20F3N11.2C31H24N6.C26H16N8O.C25H20N10.6Pt/c1-20-12-16-45(41-20)23-8-10-27(39-29(23)47-17-13-21(2)42-47)49(22-6-4-3-5-7-22)28-11-9-24(46-18-14-25(43-46)31(33,34)35)30(40-28)48-19-15-26(44-48)32(36,37)38;1-21-11-17-44(42-21)30-23(25-19-36-13-15-38-25)7-9-28(40-30)46(22-5-3-2-4-6-22)29-10-8-24(26-20-37-14-16-39-26)31(41-29)45-18-12-27(43-45)32(33,34)35;2*1-31(2,27-15-13-25(23-9-5-3-6-10-23)29(34-27)36-19-17-32-21-36)28-16-14-26(24-11-7-4-8-12-24)30(35-28)37-20-18-33-22-37;1-3-7-19(8-4-1)21-11-13-23(31-25(21)33-17-27-15-29-33)35-24-14-12-22(20-9-5-2-6-10-20)26(32-24)34-18-28-16-30-34;1-25(2,21-5-3-19(32-11-7-26-15-32)23(30-21)34-13-9-28-17-34)22-6-4-20(33-12-8-27-16-33)24(31-22)35-14-10-29-18-35;;;;;;/h3-16,18H,1-2H3;2-16,19-20H,1H3;3-18,21-22H,1-2H3;3-20H,1-2H3;1-16H;3-12,15-18H,1-2H3;;;;;;/q6*-2;6*+2
InChIKeySZLVERWBNOPOGB-UHFFFAOYSA-N
XLogP32.82
TPSA532.85 Ų
H-Bond Donors
H-Bond Acceptors53
Rotatable Bonds38
Heavy Atoms245
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004337.76
LogP ≤ 532.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1053

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Related Compounds

2-[3-(Fluoromethoxy)phenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine
CID 118975974
4-[4-[5-(4-Fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-2-[[4-[4-[4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]methyl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine
CID 124012055
4-[4-[5-[2-[4-Fluoro-2-[1-(4-fluorophenyl)-1-[2-[4-(6-phenylpyrrolo[2,1-f][1,2,4]triazin-4-yl)piperazin-1-yl]pyrimidin-5-yl]ethoxy]phenyl]propan-2-yl]pyrimidin-2-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine
CID 124036207
4-[4-[5-[2-[4-fluoro-2-[(1S)-1-(4-fluorophenyl)-1-[2-[4-(6-phenylpyrrolo[2,1-f][1,2,4]triazin-4-yl)piperazin-1-yl]pyrimidin-5-yl]ethoxy]phenyl]propan-2-yl]pyrimidin-2-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine
CID 144831642
N-(3,5-difluorophenyl)-8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3,5-difluorophenyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3-fluorophenyl)-8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 157068880
CID 157070759
CID 157070759
CID 157079148
CID 157079148
2,6-difluoro-3-[6-[2-(1-phenylpyrazol-3-yl)propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-6-[2-[1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]pyrazine;2,6-difluoro-3-[6-[2-[1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-dimethyl-3-[6-[2-(1-phenyl-1,2,4-triazol-3-yl)propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;4-[3-[2-[6-(2,6-dimethyl-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-4-(trifluoromethyl)pyrazol-1-yl]benzene-5-ide-1-carbonitrile;3-[6-[2-[1-(3-methylbenzene-6-id-1-yl)pyrazol-3-yl]propan-2-yl]-2-pyridinyl]-2,6-diphenoxy-4H-pyridin-4-ide;hexakis(platinum(2+))
CID 157084948
6-[4-(1,1-Difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-f][1,2,4]triazine;3-(difluoromethyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(3,5-difluoro-4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 157166926
6-[4-(1-Cyanocyclopropyl)phenyl]-3-(1,1-difluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine;1-[4-[3-(1,1-difluoroethyl)imidazo[1,5-a]pyrazin-6-yl]phenyl]cyclopropane-1-carbonitrile;7-(1,1-difluoroethyl)-2-[4-(trifluoromethoxy)phenyl]imidazo[1,5-b]pyridazine-5-carbonitrile;3-(1-fluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;6-(3-fluoro-3-methylcyclobutyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine
CID 157183479
3-[difluoro(2-methylpropoxy)methyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(2-methylpropoxy)methyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[ethoxy(difluoro)methyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine;6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 157207637
2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-5-(4-methylphenyl)-2-pyridinyl]propan-2-yl]-3-[4-(trifluoromethyl)phenyl]pyridine;dimethyl-bis[6-(3H-pyrazol-3-id-2-yl)-5-pyridin-4-yl-2-pyridinyl]germane;4-methoxy-6-[2-[4-methoxy-6-(3-methyl-5H-pyrazol-5-id-1-yl)-5-phenyl-2-pyridinyl]propan-2-yl]-3-phenyl-2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine;2-(3-methyl-5H-pyrazol-5-id-1-yl)-3-pyridin-4-yl-6-[2-[5-pyridin-4-yl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;pentakis(platinum(2+));2-[6-[2-[5-pyrazin-2-yl-6-(3H-pyrazol-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-(3H-pyrazol-3-id-2-yl)-3-pyridinyl]pyrazine
CID 157239505

Frequently Asked Questions

What is the IUPAC name of CID 162245493?
The IUPAC name of CID 162245493 (CID 162245493) is not available.
What is the SMILES notation for CID 162245493?
The canonical SMILES for CID 162245493 is CC(C)(c1ccc(-c2ccccc2)c(-n2[c-]cnc2)n1)c1ccc(-c2ccccc2)c(-n2[c-]cnc2)n1.CC(C)(c1ccc(-c2ccccc2)c(-n2[c-]ncc2)n1)c1ccc(-c2ccccc2)c(-n2[c-]ncc2)n1.CC(C)(c1ccc(-n2ccnc2)c(-n2[c-]cnc2)n1)c1ccc(-n2ccnc2)c(-n2[c-]cnc2)n1.Cc1c[c-]n(-c2nc(N(c3ccccc3)c3ccc(-c4cnccn4)c(-n4[c-]cc(C(F)(F)F)n4)n3)ccc2-c2cnccn2)n1.Cc1c[c-]n(-c2nc(N(c3ccccc3)c3ccc(-n4ccc(C(F)(F)F)n4)c(-n4[c-]cc(C(F)(F)F)n4)n3)ccc2-n2ccc(C)n2)n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1ncnn1-c1nc(Oc2ccc(-c3ccccc3)c(-n3[c-]ncn3)n2)ccc1-c1ccccc1.
What is the InChIKey of CID 162245493?
The InChIKey is SZLVERWBNOPOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21F6N11.C32H20F3N11.2C31H24N6.C26H16N8O.C25H20N10.6Pt/c1-20-12-16-45(41-20)23-8-10-27(39-29(23)47-17-13-21(2)42-47)49(22-6-4-3-5-7-22)28-11-9-24(46-18-14-25(43-46)31(33,34)35)30(40-28)48-19-15-26(44-48)32(36,37)38;1-21-11-17-44(42-21)30-23(25-19-36-13-15-38-25)7-9-28(40-30)46(22-5-3-2-4-6-22)29-10-8-24(26-20-37-14-16-39-26)31(41-29)45-18-12-27(43-45)32(33,34)35;2*1-31(2,27-15-13-25(23-9-5-3-6-10-23)29(34-27)36-19-17-32-21-36)28-16-14-26(24-11-7-4-8-12-24)30(35-28)37-20-18-33-22-37;1-3-7-19(8-4-1)21-11-13-23(31-25(21)33-17-27-15-29-33)35-24-14-12-22(20-9-5-2-6-10-20)26(32-24)34-18-28-16-30-34;1-25(2,21-5-3-19(32-11-7-26-15-32)23(30-21)34-13-9-28-17-34)22-6-4-20(33-12-8-27-16-33)24(31-22)35-14-10-29-18-35;;;;;;/h3-16,18H,1-2H3;2-16,19-20H,1H3;3-18,21-22H,1-2H3;3-20H,1-2H3;1-16H;3-12,15-18H,1-2H3;;;;;;/q6*-2;6*+2.
What are the key properties of CID 162245493?
CID 162245493 has a molecular weight of 4337.76 g/mol, XLogP of 32.82, 38 rotatable bonds, 0 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162245493 is sourced from PubChem (CID 162245493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).