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

C22H23N5O2 — CID 122197999

IUPAC2-[3,5-diethyl-1-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]pyrazol-4-yl]acetic acid
SMILESCCc1nn(Cc2ccc(-c3nc4ncccc4[nH]3)cc2)c(CC)c1CC(=O)O
InChIInChI=1S/C22H23N5O2/c1-3-17-16(12-20(28)29)19(4-2)27(26-17)13-14-7-9-15(10-8-14)21-24-18-6-5-11-23-22(18)25-21/h5-11H,3-4,12-13H2,1-2H3,(H,28,29)(H,23,24,25)
InChIKeyOBVJQQAVDXTNHU-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.62
Rot. Bonds7

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

2-[3,5-diethyl-1-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]pyrazol-4-yl]acetic acid (PubChem CID 122197999) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-[3,5-diethyl-1-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]pyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[3,5-diethyl-1-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]pyrazol-4-yl]acetic acid
PubChem CID122197999
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name2-[3,5-diethyl-1-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]pyrazol-4-yl]acetic acid
SMILESCCc1nn(Cc2ccc(-c3nc4ncccc4[nH]3)cc2)c(CC)c1CC(=O)O
InChIInChI=1S/C22H23N5O2/c1-3-17-16(12-20(28)29)19(4-2)27(26-17)13-14-7-9-15(10-8-14)21-24-18-6-5-11-23-22(18)25-21/h5-11H,3-4,12-13H2,1-2H3,(H,28,29)(H,23,24,25)
InChIKeyOBVJQQAVDXTNHU-UHFFFAOYSA-N
XLogP3.62
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

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CID 70694621
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4-(8-Biphenyl-4-yl-3H-[1,2,4]triazolo[5,1-i]purin-5-yl)-butyric acid
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2-[1-[[4-(6-tert-butyl-1H-benzimidazol-2-yl)-2-fluorophenyl]methyl]-3,5-diethylpyrazol-4-yl]acetic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-diethyl-1-[[4-(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-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]pyrazol-4-yl]acetic acid (CID 122197999) is 2-[3,5-diethyl-1-[[4-(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-(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-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]pyrazol-4-yl]acetic acid is CCc1nn(Cc2ccc(-c3nc4ncccc4[nH]3)cc2)c(CC)c1CC(=O)O.
What is the InChIKey of 2-[3,5-diethyl-1-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]pyrazol-4-yl]acetic acid?
The InChIKey is OBVJQQAVDXTNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-3-17-16(12-20(28)29)19(4-2)27(26-17)13-14-7-9-15(10-8-14)21-24-18-6-5-11-23-22(18)25-21/h5-11H,3-4,12-13H2,1-2H3,(H,28,29)(H,23,24,25).
What are the key properties of 2-[3,5-diethyl-1-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]pyrazol-4-yl]acetic acid?
2-[3,5-diethyl-1-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]pyrazol-4-yl]acetic acid has a molecular weight of 389.46 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-diethyl-1-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]pyrazol-4-yl]acetic acid is sourced from PubChem (CID 122197999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).