CID 122445437

C24H23LiN5O3 — CID 122445437

IUPAC—
SMILESCc1cc(N)nn1CCc1cccc(-c2ccc(=O)n(Cc3cccc(C(=O)O)c3)n2)c1.[Li]
InChIInChI=1S/C24H23N5O3.Li/c1-16-12-22(25)27-28(16)11-10-17-4-2-6-19(13-17)21-8-9-23(30)29(26-21)15-18-5-3-7-20(14-18)24(31)32;/h2-9,12-14H,10-11,15H2,1H3,(H2,25,27)(H,31,32);
InChIKeyRWHDCVUTULCGDV-UHFFFAOYSA-N
MW436.42 g/mol
LogP2.61
Rot. Bonds7

About CID 122445437

CID 122445437 (PubChem CID 122445437) has the molecular formula C24H23LiN5O3 and a molecular weight of 436.42 g/mol.

Molecular Properties

Compound NameCID 122445437
PubChem CID122445437
Molecular FormulaC24H23LiN5O3
Molecular Weight436.42 g/mol
Exact Mass436.20
IUPAC Name—
SMILESCc1cc(N)nn1CCc1cccc(-c2ccc(=O)n(Cc3cccc(C(=O)O)c3)n2)c1.[Li]
InChIInChI=1S/C24H23N5O3.Li/c1-16-12-22(25)27-28(16)11-10-17-4-2-6-19(13-17)21-8-9-23(30)29(26-21)15-18-5-3-7-20(14-18)24(31)32;/h2-9,12-14H,10-11,15H2,1H3,(H2,25,27)(H,31,32);
InChIKeyRWHDCVUTULCGDV-UHFFFAOYSA-N
XLogP2.61
TPSA116.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.42
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid
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1-[(3,5-Dimethylphenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylic acid
CID 168274334
3-[(4-Methylbenzoyl)amino]-5-(2-methylpyrazol-3-yl)benzoic acid
CID 171782852
4-[5-(3-Fluorophenyl)-3-[3-[(3-methylphenyl)methylamino]-3-oxopropyl]pyrazol-1-yl]benzoic acid
CID 56602852
3-[3-[1-(Dimethylcarbamoyl)piperidin-4-yl]-5-[(4-fluorophenyl)methylamino]pyrazole-1-carbonyl]benzoic acid
CID 150104456
3-[(3,5-Dimethyl-4-phenylpyrazol-1-yl)methyl]-2-fluorobenzoic acid
CID 176915052
2-Fluoro-3-[[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]benzoic acid
CID 176915054
2-Fluoro-3-[[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]benzoic acid
CID 176915091
3-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid
CID 840116
4-[2,5-Dimethyl-6-(phenylcarbamoyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-7-yl]benzoic acid
CID 137255876
3-(3-ethyl-7-oxo-2-phenyl-6H-pyrazolo[1,5-a]pyrimidin-5-yl)benzoic acid
CID 172991094
3-[2-[3-(benzamidomethyl)phenyl]-3-ethyl-7-oxo-6H-pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid
CID 178881531

Frequently Asked Questions

What is the IUPAC name of CID 122445437?
The IUPAC name of CID 122445437 (CID 122445437) is not available.
What is the SMILES notation for CID 122445437?
The canonical SMILES for CID 122445437 is Cc1cc(N)nn1CCc1cccc(-c2ccc(=O)n(Cc3cccc(C(=O)O)c3)n2)c1.[Li].
What is the InChIKey of CID 122445437?
The InChIKey is RWHDCVUTULCGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3.Li/c1-16-12-22(25)27-28(16)11-10-17-4-2-6-19(13-17)21-8-9-23(30)29(26-21)15-18-5-3-7-20(14-18)24(31)32;/h2-9,12-14H,10-11,15H2,1H3,(H2,25,27)(H,31,32);.
What are the key properties of CID 122445437?
CID 122445437 has a molecular weight of 436.42 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 122445437 is sourced from PubChem (CID 122445437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).