bis(4-methyl-2-pyrazol-1-ylpyridine);osmium(1+);2-phenyl-4-prop-2-ynoxypyridine

C32H28N7OOs — CID 176846190

IUPACbis(4-methyl-2-pyrazol-1-ylpyridine);osmium(1+);2-phenyl-4-prop-2-ynoxypyridine
SMILESC#CCOc1ccnc(-c2[c-]cccc2)c1.Cc1ccnc(-n2cccn2)c1.Cc1ccnc(-n2cccn2)c1.[Os+]
InChIInChI=1S/C14H10NO.2C9H9N3.Os/c1-2-10-16-13-8-9-15-14(11-13)12-6-4-3-5-7-12;2*1-8-3-5-10-9(7-8)12-6-2-4-11-12;/h1,3-6,8-9,11H,10H2;2*2-7H,1H3;/q-1;;;+1
InChIKeySVHALXRMVPPADI-UHFFFAOYSA-N
MW716.85 g/mol
LogP5.71
Rot. Bonds5

About bis(4-methyl-2-pyrazol-1-ylpyridine);osmium(1+);2-phenyl-4-prop-2-ynoxypyridine

bis(4-methyl-2-pyrazol-1-ylpyridine);osmium(1+);2-phenyl-4-prop-2-ynoxypyridine (PubChem CID 176846190) has the molecular formula C32H28N7OOs and a molecular weight of 716.85 g/mol. Its IUPAC name is bis(4-methyl-2-pyrazol-1-ylpyridine);osmium(1+);2-phenyl-4-prop-2-ynoxypyridine.

Molecular Properties

Compound Namebis(4-methyl-2-pyrazol-1-ylpyridine);osmium(1+);2-phenyl-4-prop-2-ynoxypyridine
PubChem CID176846190
Molecular FormulaC32H28N7OOs
Molecular Weight716.85 g/mol
Exact Mass718.20
IUPAC Namebis(4-methyl-2-pyrazol-1-ylpyridine);osmium(1+);2-phenyl-4-prop-2-ynoxypyridine
SMILESC#CCOc1ccnc(-c2[c-]cccc2)c1.Cc1ccnc(-n2cccn2)c1.Cc1ccnc(-n2cccn2)c1.[Os+]
InChIInChI=1S/C14H10NO.2C9H9N3.Os/c1-2-10-16-13-8-9-15-14(11-13)12-6-4-3-5-7-12;2*1-8-3-5-10-9(7-8)12-6-2-4-11-12;/h1,3-6,8-9,11H,10H2;2*2-7H,1H3;/q-1;;;+1
InChIKeySVHALXRMVPPADI-UHFFFAOYSA-N
XLogP5.71
TPSA83.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.85
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze bis(4-methyl-2-pyrazol-1-ylpyridine);osmium(1+);2-phenyl-4-prop-2-ynoxypyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-methylbenzene-6-id-1-yl)-4-prop-2-enoxypyridine;bis(4-methyl-2-pyrazol-1-ylpyridine);osmium(1+)
CID 176846005
[3-(4-methoxy-2-pyridinyl)benzene-4-id-1-yl]methanamine;bis(4-methyl-2-pyrazol-1-ylpyridine);osmium(1+)
CID 176846191
3-(4-methyl-2-pyridinyl)benzene-4-ide-1-carbonyl chloride;osmium(1+);bis(2-pyrazol-1-ylpyridine)
CID 176846052
osmium(1+);bis(2-pyrazol-1-ylpyridine);3-pyridin-2-ylbenzene-4-id-1-amine
CID 176846079
2-(3-bromobenzene-6-id-1-yl)-4-methylpyridine;iridium(3+);1-methyl-3-phenylbenzene-4-ide
CID 162483813
pentakis(iridium);pentakis(2-(3-methylbenzene-6-id-1-yl)pyridine);5-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;bis(4-methyl-2-phenylpyridine);bis(5-methyl-2-phenylpyridine)
CID 159709383
iridium;4-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-methyl-2-phenylpyridine
CID 162470285
4-(3,5-dimethylphenyl)-2-phenylpyridine;iridium(3+);phenylbenzene
CID 162487319
carbanide;3,5-di(pyrazol-1-yl)-4H-pyridin-4-ide;iridium(3+);2-phenylpyridine
CID 58965563
iridium;1-(2-methyl-3,7-dihydroinden-7-id-1-yl)pyrazole;2-phenylpyridine
CID 58991687
iridium;trimethyl-(2-phenyl-4-pyridinyl)phosphanium
CID 59782046
2-bromo-N-(3-pyridin-2-ylbenzene-4-id-1-yl)acetamide;osmium(1+);bis(2-pyrazol-1-ylpyridine)
CID 176846097

Frequently Asked Questions

What is the IUPAC name of bis(4-methyl-2-pyrazol-1-ylpyridine);osmium(1+);2-phenyl-4-prop-2-ynoxypyridine?
The IUPAC name of bis(4-methyl-2-pyrazol-1-ylpyridine);osmium(1+);2-phenyl-4-prop-2-ynoxypyridine (CID 176846190) is bis(4-methyl-2-pyrazol-1-ylpyridine);osmium(1+);2-phenyl-4-prop-2-ynoxypyridine.
What is the SMILES notation for bis(4-methyl-2-pyrazol-1-ylpyridine);osmium(1+);2-phenyl-4-prop-2-ynoxypyridine?
The canonical SMILES for bis(4-methyl-2-pyrazol-1-ylpyridine);osmium(1+);2-phenyl-4-prop-2-ynoxypyridine is C#CCOc1ccnc(-c2[c-]cccc2)c1.Cc1ccnc(-n2cccn2)c1.Cc1ccnc(-n2cccn2)c1.[Os+].
What is the InChIKey of bis(4-methyl-2-pyrazol-1-ylpyridine);osmium(1+);2-phenyl-4-prop-2-ynoxypyridine?
The InChIKey is SVHALXRMVPPADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10NO.2C9H9N3.Os/c1-2-10-16-13-8-9-15-14(11-13)12-6-4-3-5-7-12;2*1-8-3-5-10-9(7-8)12-6-2-4-11-12;/h1,3-6,8-9,11H,10H2;2*2-7H,1H3;/q-1;;;+1.
What are the key properties of bis(4-methyl-2-pyrazol-1-ylpyridine);osmium(1+);2-phenyl-4-prop-2-ynoxypyridine?
bis(4-methyl-2-pyrazol-1-ylpyridine);osmium(1+);2-phenyl-4-prop-2-ynoxypyridine has a molecular weight of 716.85 g/mol, XLogP of 5.71, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methyl-2-pyrazol-1-ylpyridine);osmium(1+);2-phenyl-4-prop-2-ynoxypyridine is sourced from PubChem (CID 176846190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).