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

C43H49N5O2Pt — CID 155633438

IUPAC7-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-5-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-di(propan-2-yl)-6H-imidazo[1,2-a]pyridin-6-ide;platinum(2+)
SMILESCc1nn(-c2[c-]c(Oc3[c-]c(Oc4cc(C(C)(C)C)ccn4)n4c(C(C)C)c(C(C)C)nc4c3)cc(C(C)(C)C)c2)c(C)c1-c1ccccc1.[Pt+2]
InChIInChI=1S/C43H49N5O2.Pt/c1-26(2)40-41(27(3)4)47-36(45-40)24-35(25-38(47)50-37-22-31(18-19-44-37)42(7,8)9)49-34-21-32(43(10,11)12)20-33(23-34)48-29(6)39(28(5)46-48)30-16-14-13-15-17-30;/h13-22,24,26-27H,1-12H3;/q-2;+2
InChIKeyCDLOKEFQRNYWGK-UHFFFAOYSA-N
MW862.98 g/mol
LogP11.22
Rot. Bonds8

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

7-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-5-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-di(propan-2-yl)-6H-imidazo[1,2-a]pyridin-6-ide;platinum(2+) (PubChem CID 155633438) has the molecular formula C43H49N5O2Pt and a molecular weight of 862.98 g/mol. Its IUPAC name is 7-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-5-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-di(propan-2-yl)-6H-imidazo[1,2-a]pyridin-6-ide;platinum(2+).

Molecular Properties

Compound Name7-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-5-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-di(propan-2-yl)-6H-imidazo[1,2-a]pyridin-6-ide;platinum(2+)
PubChem CID155633438
Molecular FormulaC43H49N5O2Pt
Molecular Weight862.98 g/mol
Exact Mass862.35
IUPAC Name7-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-5-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-di(propan-2-yl)-6H-imidazo[1,2-a]pyridin-6-ide;platinum(2+)
SMILESCc1nn(-c2[c-]c(Oc3[c-]c(Oc4cc(C(C)(C)C)ccn4)n4c(C(C)C)c(C(C)C)nc4c3)cc(C(C)(C)C)c2)c(C)c1-c1ccccc1.[Pt+2]
InChIInChI=1S/C43H49N5O2.Pt/c1-26(2)40-41(27(3)4)47-36(45-40)24-35(25-38(47)50-37-22-31(18-19-44-37)42(7,8)9)49-34-21-32(43(10,11)12)20-33(23-34)48-29(6)39(28(5)46-48)30-16-14-13-15-17-30;/h13-22,24,26-27H,1-12H3;/q-2;+2
InChIKeyCDLOKEFQRNYWGK-UHFFFAOYSA-N
XLogP11.22
TPSA66.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500862.98
LogP ≤ 511.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(4-Methoxyphenyl)-1-methyl-6-phenyl-3-pyridin-4-ylimidazo[2,1-e]pyrazole
CID 102313335
(imidazo[1,2-a]pyridin-3-ylmethyl)methyl{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}amine
CID 16190922
2-(4-Methoxyphenyl)-1-methyl-7-[(4-methylpiperazin-1-yl)methyl]-6-phenylimidazo[2,1-e]pyrazole
CID 118710903
4-[[2-(4-Methoxyphenyl)-1-methyl-6-phenyl-3-pyridin-4-ylimidazo[2,1-e]pyrazol-7-yl]methyl]morpholine
CID 118710928
6-(1-Benzylpyrazol-4-yl)-3-(4-methoxyphenyl)imidazo[1,2-a]pyrazine
CID 155562430
3-Imidazo[1,2-a]pyridin-3-yl-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 60182396
2,3-Bis(4-methoxyphenyl)-1-methyl-6-phenyl-7-pyridin-4-ylimidazo[2,1-e]pyrazole
CID 118710892
1-(1-ethyl-1H-imidazol-2-yl)-N-methyl-N-{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}methanamine
CID 42511621
6-(1-Methylpyrazol-4-yl)-3-(4-phenoxyphenyl) imidazo[1,2-a]pyrazine
CID 126672977
6-[3-(4-fluorophenyl)-1-trityl-1H-4-pyrazolyl]-3-(6-methoxy-2-pyridyl)imidazo[1,2-a]pyridine
CID 22031149
6-[3-(4-Fluorophenyl)-1-tritylpyrazol-4-yl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyridine
CID 22031999
6-[3-(4-Fluorophenyl)-1-tritylpyrazol-4-yl]-3-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridine
CID 23537393

Frequently Asked Questions

What is the IUPAC name of 7-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-5-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-di(propan-2-yl)-6H-imidazo[1,2-a]pyridin-6-ide;platinum(2+)?
The IUPAC name of 7-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-5-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-di(propan-2-yl)-6H-imidazo[1,2-a]pyridin-6-ide;platinum(2+) (CID 155633438) is 7-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-5-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-di(propan-2-yl)-6H-imidazo[1,2-a]pyridin-6-ide;platinum(2+).
What is the SMILES notation for 7-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-5-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-di(propan-2-yl)-6H-imidazo[1,2-a]pyridin-6-ide;platinum(2+)?
The canonical SMILES for 7-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-5-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-di(propan-2-yl)-6H-imidazo[1,2-a]pyridin-6-ide;platinum(2+) is Cc1nn(-c2[c-]c(Oc3[c-]c(Oc4cc(C(C)(C)C)ccn4)n4c(C(C)C)c(C(C)C)nc4c3)cc(C(C)(C)C)c2)c(C)c1-c1ccccc1.[Pt+2].
What is the InChIKey of 7-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-5-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-di(propan-2-yl)-6H-imidazo[1,2-a]pyridin-6-ide;platinum(2+)?
The InChIKey is CDLOKEFQRNYWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H49N5O2.Pt/c1-26(2)40-41(27(3)4)47-36(45-40)24-35(25-38(47)50-37-22-31(18-19-44-37)42(7,8)9)49-34-21-32(43(10,11)12)20-33(23-34)48-29(6)39(28(5)46-48)30-16-14-13-15-17-30;/h13-22,24,26-27H,1-12H3;/q-2;+2.
What are the key properties of 7-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-5-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-di(propan-2-yl)-6H-imidazo[1,2-a]pyridin-6-ide;platinum(2+)?
7-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-5-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-di(propan-2-yl)-6H-imidazo[1,2-a]pyridin-6-ide;platinum(2+) has a molecular weight of 862.98 g/mol, XLogP of 11.22, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-5-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-di(propan-2-yl)-6H-imidazo[1,2-a]pyridin-6-ide;platinum(2+) is sourced from PubChem (CID 155633438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).