2-[1-[[4-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]-3,5-diethylpyrazol-4-yl]acetic acid

C22H22ClN5O2 — CID 122197995

IUPAC2-[1-[[4-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]-3,5-diethylpyrazol-4-yl]acetic acid
SMILESCCc1nn(Cc2ccc(-c3nc4ncc(Cl)cc4[nH]3)cc2)c(CC)c1CC(=O)O
InChIInChI=1S/C22H22ClN5O2/c1-3-17-16(10-20(29)30)19(4-2)28(27-17)12-13-5-7-14(8-6-13)21-25-18-9-15(23)11-24-22(18)26-21/h5-9,11H,3-4,10,12H2,1-2H3,(H,29,30)(H,24,25,26)
InChIKeyJFQYUPXVGXUKIQ-UHFFFAOYSA-N
MW423.90 g/mol
LogP4.28
Rot. Bonds7

About 2-[1-[[4-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]-3,5-diethylpyrazol-4-yl]acetic acid

2-[1-[[4-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]-3,5-diethylpyrazol-4-yl]acetic acid (PubChem CID 122197995) has the molecular formula C22H22ClN5O2 and a molecular weight of 423.90 g/mol. Its IUPAC name is 2-[1-[[4-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]-3,5-diethylpyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[[4-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]-3,5-diethylpyrazol-4-yl]acetic acid
PubChem CID122197995
Molecular FormulaC22H22ClN5O2
Molecular Weight423.90 g/mol
Exact Mass423.15
IUPAC Name2-[1-[[4-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]-3,5-diethylpyrazol-4-yl]acetic acid
SMILESCCc1nn(Cc2ccc(-c3nc4ncc(Cl)cc4[nH]3)cc2)c(CC)c1CC(=O)O
InChIInChI=1S/C22H22ClN5O2/c1-3-17-16(10-20(29)30)19(4-2)28(27-17)12-13-5-7-14(8-6-13)21-25-18-9-15(23)11-24-22(18)26-21/h5-9,11H,3-4,10,12H2,1-2H3,(H,29,30)(H,24,25,26)
InChIKeyJFQYUPXVGXUKIQ-UHFFFAOYSA-N
XLogP4.28
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[4-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]-3,5-diethylpyrazol-4-yl]acetic acid?
The IUPAC name of 2-[1-[[4-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]-3,5-diethylpyrazol-4-yl]acetic acid (CID 122197995) is 2-[1-[[4-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]-3,5-diethylpyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[[4-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]-3,5-diethylpyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[1-[[4-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]-3,5-diethylpyrazol-4-yl]acetic acid is CCc1nn(Cc2ccc(-c3nc4ncc(Cl)cc4[nH]3)cc2)c(CC)c1CC(=O)O.
What is the InChIKey of 2-[1-[[4-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]-3,5-diethylpyrazol-4-yl]acetic acid?
The InChIKey is JFQYUPXVGXUKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O2/c1-3-17-16(10-20(29)30)19(4-2)28(27-17)12-13-5-7-14(8-6-13)21-25-18-9-15(23)11-24-22(18)26-21/h5-9,11H,3-4,10,12H2,1-2H3,(H,29,30)(H,24,25,26).
What are the key properties of 2-[1-[[4-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]-3,5-diethylpyrazol-4-yl]acetic acid?
2-[1-[[4-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]-3,5-diethylpyrazol-4-yl]acetic acid has a molecular weight of 423.90 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[4-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]-3,5-diethylpyrazol-4-yl]acetic acid is sourced from PubChem (CID 122197995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).