2-[3,5-diethyl-1-[[4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]pyrazol-4-yl]acetic acid

C23H25N5O3 — CID 122198013

IUPAC2-[3,5-diethyl-1-[[4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]pyrazol-4-yl]acetic acid
SMILESCCc1nn(Cc2ccc(-c3nc4nc(OC)ccc4[nH]3)cc2)c(CC)c1CC(=O)O
InChIInChI=1S/C23H25N5O3/c1-4-17-16(12-21(29)30)19(5-2)28(27-17)13-14-6-8-15(9-7-14)22-24-18-10-11-20(31-3)25-23(18)26-22/h6-11H,4-5,12-13H2,1-3H3,(H,29,30)(H,24,25,26)
InChIKeyWYNYDOJFTNZDNG-UHFFFAOYSA-N
MW419.49 g/mol
LogP3.63
Rot. Bonds8

About 2-[3,5-diethyl-1-[[4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]pyrazol-4-yl]acetic acid

2-[3,5-diethyl-1-[[4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]pyrazol-4-yl]acetic acid (PubChem CID 122198013) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is 2-[3,5-diethyl-1-[[4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]pyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[3,5-diethyl-1-[[4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]pyrazol-4-yl]acetic acid
PubChem CID122198013
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name2-[3,5-diethyl-1-[[4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]pyrazol-4-yl]acetic acid
SMILESCCc1nn(Cc2ccc(-c3nc4nc(OC)ccc4[nH]3)cc2)c(CC)c1CC(=O)O
InChIInChI=1S/C23H25N5O3/c1-4-17-16(12-21(29)30)19(5-2)28(27-17)13-14-6-8-15(9-7-14)22-24-18-10-11-20(31-3)25-23(18)26-22/h6-11H,4-5,12-13H2,1-3H3,(H,29,30)(H,24,25,26)
InChIKeyWYNYDOJFTNZDNG-UHFFFAOYSA-N
XLogP3.63
TPSA105.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[[4-(1H-benzo[f]benzimidazol-2-yl)phenyl]methyl]-3,5-diethylpyrazol-4-yl]acetic acid
CID 122197974
2-[1-[(4-bromophenyl)methyl]-3,5-diethylpyrazol-4-yl]acetic acid
CID 79219433
4-[4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]benzoic acid
CID 167974159
2-[1-[(4-aminophenyl)methyl]-3,5-diethylpyrazol-4-yl]acetic acid;2,2-dimethylcyclopropan-1-one
CID 144631431
2-[1-[[4-(5,6-dichloro-1-methylbenzimidazol-2-yl)phenyl]methyl]-3,5-diethylpyrazol-4-yl]acetic acid
CID 122197989
2-[1-[(4-benzylsulfinylphenyl)methyl]-3,5-diethylpyrazol-4-yl]acetic acid
CID 58071720
2-[3,5-diethyl-1-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]pyrazol-4-yl]acetic acid
CID 58071689
2-[1-[[4-[(3,4-dichlorobenzoyl)amino]phenyl]methyl]-3,5-diethylpyrazol-4-yl]acetic acid
CID 58071729
5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)benzene-1,3-diol
CID 107704555
5-methoxy-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine
CID 65485621
[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]methanol
CID 82697742
4-(chloromethyl)-3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazole
CID 82699922

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-diethyl-1-[[4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]pyrazol-4-yl]acetic acid?
The IUPAC name of 2-[3,5-diethyl-1-[[4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]pyrazol-4-yl]acetic acid (CID 122198013) is 2-[3,5-diethyl-1-[[4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]pyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[3,5-diethyl-1-[[4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]pyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[3,5-diethyl-1-[[4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]pyrazol-4-yl]acetic acid is CCc1nn(Cc2ccc(-c3nc4nc(OC)ccc4[nH]3)cc2)c(CC)c1CC(=O)O.
What is the InChIKey of 2-[3,5-diethyl-1-[[4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]pyrazol-4-yl]acetic acid?
The InChIKey is WYNYDOJFTNZDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-4-17-16(12-21(29)30)19(5-2)28(27-17)13-14-6-8-15(9-7-14)22-24-18-10-11-20(31-3)25-23(18)26-22/h6-11H,4-5,12-13H2,1-3H3,(H,29,30)(H,24,25,26).
What are the key properties of 2-[3,5-diethyl-1-[[4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]pyrazol-4-yl]acetic acid?
2-[3,5-diethyl-1-[[4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]pyrazol-4-yl]acetic acid has a molecular weight of 419.49 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-diethyl-1-[[4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]pyrazol-4-yl]acetic acid is sourced from PubChem (CID 122198013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).