bis(oxygen(2-));2-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)phenolate;vanadium

C18H12N3O3V-5 — CID 139162542

IUPACbis(oxygen(2-));2-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)phenolate;vanadium
SMILES[O-2].[O-2].[O-]c1ccccc1-c1nc(-c2ccccn2)c2ccccn12.[V]
InChIInChI=1S/C18H13N3O.2O.V/c22-16-10-2-1-7-13(16)18-20-17(14-8-3-5-11-19-14)15-9-4-6-12-21(15)18;;;/h1-12,22H;;;/q;2*-2;/p-1
InChIKeyYYLFPXKHMGKRKK-UHFFFAOYSA-M
MW369.26 g/mol
LogP2.90
Rot. Bonds2

About bis(oxygen(2-));2-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)phenolate;vanadium

bis(oxygen(2-));2-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)phenolate;vanadium (PubChem CID 139162542) has the molecular formula C18H12N3O3V-5 and a molecular weight of 369.26 g/mol. Its IUPAC name is bis(oxygen(2-));2-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)phenolate;vanadium.

Molecular Properties

Compound Namebis(oxygen(2-));2-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)phenolate;vanadium
PubChem CID139162542
Molecular FormulaC18H12N3O3V-5
Molecular Weight369.26 g/mol
Exact Mass369.03
IUPAC Namebis(oxygen(2-));2-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)phenolate;vanadium
SMILES[O-2].[O-2].[O-]c1ccccc1-c1nc(-c2ccccn2)c2ccccn12.[V]
InChIInChI=1S/C18H13N3O.2O.V/c22-16-10-2-1-7-13(16)18-20-17(14-8-3-5-11-19-14)15-9-4-6-12-21(15)18;;;/h1-12,22H;;;/q;2*-2;/p-1
InChIKeyYYLFPXKHMGKRKK-UHFFFAOYSA-M
XLogP2.90
TPSA110.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.26
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
CID 163795638
US10189840, Example 28
CID 122551658
US10189840, Example 17
CID 122551707
2-(8-Pyridin-3-ylimidazo[1,5-a]pyridin-6-yl)phenol
CID 134809655
2-[[2-(2-Hydroxyphenyl)-4-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-1-yl]methyl]phenol
CID 145955961
2-{[3-(3-ethyl-3H-imidazo[4,5-b]pyridin-2-yl)-1-pyrrolidinyl]methyl}phenyl methyl ether
CID 53191345
CID 58803407
CID 58803407
3-[2-(Difluoromethoxy)phenyl]-11-(6-methoxypyridin-3-yl)-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraene
CID 122551613
3-[2-(Difluoromethoxy)phenyl]-5-fluoro-11-(6-methoxypyridin-3-yl)-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraene
CID 122551709
2-[3-[3-(Trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenol;ZINC
CID 136066844
4-[3-(3,5-Difluoro-2-hydroxyphenyl)imidazo[1,5-a]pyridin-1-yl]pyridin-3-ol
CID 155099200
2-Fluoro-6-[1-(2-hydroxyphenyl)imidazo[1,5-a]pyridin-3-yl]phenol
CID 155099207

Frequently Asked Questions

What is the IUPAC name of bis(oxygen(2-));2-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)phenolate;vanadium?
The IUPAC name of bis(oxygen(2-));2-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)phenolate;vanadium (CID 139162542) is bis(oxygen(2-));2-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)phenolate;vanadium.
What is the SMILES notation for bis(oxygen(2-));2-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)phenolate;vanadium?
The canonical SMILES for bis(oxygen(2-));2-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)phenolate;vanadium is [O-2].[O-2].[O-]c1ccccc1-c1nc(-c2ccccn2)c2ccccn12.[V].
What is the InChIKey of bis(oxygen(2-));2-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)phenolate;vanadium?
The InChIKey is YYLFPXKHMGKRKK-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H13N3O.2O.V/c22-16-10-2-1-7-13(16)18-20-17(14-8-3-5-11-19-14)15-9-4-6-12-21(15)18;;;/h1-12,22H;;;/q;2*-2;/p-1.
What are the key properties of bis(oxygen(2-));2-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)phenolate;vanadium?
bis(oxygen(2-));2-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)phenolate;vanadium has a molecular weight of 369.26 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(oxygen(2-));2-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)phenolate;vanadium is sourced from PubChem (CID 139162542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).