8-[(4-tert-butyl-2-pyridinyl)oxy]-6-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-2,3-di(propan-2-yl)-7H-imidazo[1,2-a]pyridin-7-ide;platinum(2+)

C39H41N5O2Pt — CID 155633379

IUPAC8-[(4-tert-butyl-2-pyridinyl)oxy]-6-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-2,3-di(propan-2-yl)-7H-imidazo[1,2-a]pyridin-7-ide;platinum(2+)
SMILESCc1nn(-c2[c-]c(Oc3[c-]c(Oc4cc(C(C)(C)C)ccn4)c4nc(C(C)C)c(C(C)C)n4c3)ccc2)c(C)c1-c1ccccc1.[Pt+2]
InChIInChI=1S/C39H41N5O2.Pt/c1-24(2)36-37(25(3)4)43-23-32(22-33(38(43)41-36)46-34-20-29(18-19-40-34)39(7,8)9)45-31-17-13-16-30(21-31)44-27(6)35(26(5)42-44)28-14-11-10-12-15-28;/h10-20,23-25H,1-9H3;/q-2;+2
InChIKeyJGQRXWXJKBIUDL-UHFFFAOYSA-N
MW806.87 g/mol
LogP9.93
Rot. Bonds8

About 8-[(4-tert-butyl-2-pyridinyl)oxy]-6-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-2,3-di(propan-2-yl)-7H-imidazo[1,2-a]pyridin-7-ide;platinum(2+)

8-[(4-tert-butyl-2-pyridinyl)oxy]-6-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-2,3-di(propan-2-yl)-7H-imidazo[1,2-a]pyridin-7-ide;platinum(2+) (PubChem CID 155633379) has the molecular formula C39H41N5O2Pt and a molecular weight of 806.87 g/mol. Its IUPAC name is 8-[(4-tert-butyl-2-pyridinyl)oxy]-6-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-2,3-di(propan-2-yl)-7H-imidazo[1,2-a]pyridin-7-ide;platinum(2+).

Molecular Properties

Compound Name8-[(4-tert-butyl-2-pyridinyl)oxy]-6-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-2,3-di(propan-2-yl)-7H-imidazo[1,2-a]pyridin-7-ide;platinum(2+)
PubChem CID155633379
Molecular FormulaC39H41N5O2Pt
Molecular Weight806.87 g/mol
Exact Mass806.29
IUPAC Name8-[(4-tert-butyl-2-pyridinyl)oxy]-6-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-2,3-di(propan-2-yl)-7H-imidazo[1,2-a]pyridin-7-ide;platinum(2+)
SMILESCc1nn(-c2[c-]c(Oc3[c-]c(Oc4cc(C(C)(C)C)ccn4)c4nc(C(C)C)c(C(C)C)n4c3)ccc2)c(C)c1-c1ccccc1.[Pt+2]
InChIInChI=1S/C39H41N5O2.Pt/c1-24(2)36-37(25(3)4)43-23-32(22-33(38(43)41-36)46-34-20-29(18-19-40-34)39(7,8)9)45-31-17-13-16-30(21-31)44-27(6)35(26(5)42-44)28-14-11-10-12-15-28;/h10-20,23-25H,1-9H3;/q-2;+2
InChIKeyJGQRXWXJKBIUDL-UHFFFAOYSA-N
XLogP9.93
TPSA66.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.87
LogP ≤ 59.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 8-[(4-tert-butyl-2-pyridinyl)oxy]-6-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-2,3-di(propan-2-yl)-7H-imidazo[1,2-a]pyridin-7-ide;platinum(2+) with MolForge

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Related Compounds

Methyl substituted pyrazole, 27
CID 23648674
1-Methyl-2-[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxymethyl]-1H-benzoimidazole
CID 23648644
US10399985, Example 35
CID 118278137
US10399985, Example 32
CID 118278218
US10399985, Example 34
CID 118278242
US10399985, Example 38
CID 118288258
(imidazo[1,2-a]pyridin-3-ylmethyl)methyl{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}amine
CID 16190922
4-[[2-(4-Methoxyphenyl)-1-methyl-6-phenyl-3-pyridin-4-ylimidazo[2,1-e]pyrazol-7-yl]methyl]morpholine
CID 118710928
1-Fluoromethyl-2-[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-1H-benzoimidazole
CID 23648646
N-ethyl-4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine
CID 59640993
4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-(2-methylpropyl)pyrimidin-2-amine
CID 59641057
N-butyl-4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine
CID 59641148

Frequently Asked Questions

What is the IUPAC name of 8-[(4-tert-butyl-2-pyridinyl)oxy]-6-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-2,3-di(propan-2-yl)-7H-imidazo[1,2-a]pyridin-7-ide;platinum(2+)?
The IUPAC name of 8-[(4-tert-butyl-2-pyridinyl)oxy]-6-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-2,3-di(propan-2-yl)-7H-imidazo[1,2-a]pyridin-7-ide;platinum(2+) (CID 155633379) is 8-[(4-tert-butyl-2-pyridinyl)oxy]-6-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-2,3-di(propan-2-yl)-7H-imidazo[1,2-a]pyridin-7-ide;platinum(2+).
What is the SMILES notation for 8-[(4-tert-butyl-2-pyridinyl)oxy]-6-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-2,3-di(propan-2-yl)-7H-imidazo[1,2-a]pyridin-7-ide;platinum(2+)?
The canonical SMILES for 8-[(4-tert-butyl-2-pyridinyl)oxy]-6-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-2,3-di(propan-2-yl)-7H-imidazo[1,2-a]pyridin-7-ide;platinum(2+) is Cc1nn(-c2[c-]c(Oc3[c-]c(Oc4cc(C(C)(C)C)ccn4)c4nc(C(C)C)c(C(C)C)n4c3)ccc2)c(C)c1-c1ccccc1.[Pt+2].
What is the InChIKey of 8-[(4-tert-butyl-2-pyridinyl)oxy]-6-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-2,3-di(propan-2-yl)-7H-imidazo[1,2-a]pyridin-7-ide;platinum(2+)?
The InChIKey is JGQRXWXJKBIUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H41N5O2.Pt/c1-24(2)36-37(25(3)4)43-23-32(22-33(38(43)41-36)46-34-20-29(18-19-40-34)39(7,8)9)45-31-17-13-16-30(21-31)44-27(6)35(26(5)42-44)28-14-11-10-12-15-28;/h10-20,23-25H,1-9H3;/q-2;+2.
What are the key properties of 8-[(4-tert-butyl-2-pyridinyl)oxy]-6-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-2,3-di(propan-2-yl)-7H-imidazo[1,2-a]pyridin-7-ide;platinum(2+)?
8-[(4-tert-butyl-2-pyridinyl)oxy]-6-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-2,3-di(propan-2-yl)-7H-imidazo[1,2-a]pyridin-7-ide;platinum(2+) has a molecular weight of 806.87 g/mol, XLogP of 9.93, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-tert-butyl-2-pyridinyl)oxy]-6-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-2,3-di(propan-2-yl)-7H-imidazo[1,2-a]pyridin-7-ide;platinum(2+) is sourced from PubChem (CID 155633379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).