2-[3,5-diethyl-1-[[2-fluoro-4-(7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methyl]pyrazol-4-yl]acetic acid

C23H24FN5O2 — CID 122198046

IUPAC2-[3,5-diethyl-1-[[2-fluoro-4-(7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methyl]pyrazol-4-yl]acetic acid
SMILESCCc1nn(Cc2ccc(-c3nc4c(C)cncc4[nH]3)cc2F)c(CC)c1CC(=O)O
InChIInChI=1S/C23H24FN5O2/c1-4-18-16(9-21(30)31)20(5-2)29(28-18)12-15-7-6-14(8-17(15)24)23-26-19-11-25-10-13(3)22(19)27-23/h6-8,10-11H,4-5,9,12H2,1-3H3,(H,26,27)(H,30,31)
InChIKeyGRPLVTGQWDQXCO-UHFFFAOYSA-N
MW421.48 g/mol
LogP4.07
Rot. Bonds7

About 2-[3,5-diethyl-1-[[2-fluoro-4-(7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methyl]pyrazol-4-yl]acetic acid

2-[3,5-diethyl-1-[[2-fluoro-4-(7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methyl]pyrazol-4-yl]acetic acid (PubChem CID 122198046) has the molecular formula C23H24FN5O2 and a molecular weight of 421.48 g/mol. Its IUPAC name is 2-[3,5-diethyl-1-[[2-fluoro-4-(7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methyl]pyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[3,5-diethyl-1-[[2-fluoro-4-(7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methyl]pyrazol-4-yl]acetic acid
PubChem CID122198046
Molecular FormulaC23H24FN5O2
Molecular Weight421.48 g/mol
Exact Mass421.19
IUPAC Name2-[3,5-diethyl-1-[[2-fluoro-4-(7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methyl]pyrazol-4-yl]acetic acid
SMILESCCc1nn(Cc2ccc(-c3nc4c(C)cncc4[nH]3)cc2F)c(CC)c1CC(=O)O
InChIInChI=1S/C23H24FN5O2/c1-4-18-16(9-21(30)31)20(5-2)29(28-18)12-15-7-6-14(8-17(15)24)23-26-19-11-25-10-13(3)22(19)27-23/h6-8,10-11H,4-5,9,12H2,1-3H3,(H,26,27)(H,30,31)
InChIKeyGRPLVTGQWDQXCO-UHFFFAOYSA-N
XLogP4.07
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 22390522
2-[1-(6-Indazol-1-ylpyrazin-2-yl)pyrrol-3-yl]acetic acid
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2-[1-[2-[(1,4-Dimethylpyrazol-5-yl)methyl]-4-fluorophenyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
CID 71225800
US11098041, Example 15
CID 121249963
5-(8-Biphenyl-4-yl-3H-[1,2,4]triazolo[5,1-i]purin-5-yl)-pentanoic acid
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2-[1-[[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]methyl]-3,5-diethylpyrazol-4-yl]acetic acid
CID 66550936
2-[1-[[4-(6-tert-butyl-1H-benzimidazol-2-yl)phenyl]methyl]-3,5-diethylpyrazol-4-yl]acetic acid
CID 66550940
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CID 66550941
2-[1-[[4-(5-chloro-6-fluoro-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-[[2-fluoro-4-(7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methyl]pyrazol-4-yl]acetic acid?
The IUPAC name of 2-[3,5-diethyl-1-[[2-fluoro-4-(7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methyl]pyrazol-4-yl]acetic acid (CID 122198046) is 2-[3,5-diethyl-1-[[2-fluoro-4-(7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methyl]pyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[3,5-diethyl-1-[[2-fluoro-4-(7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methyl]pyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[3,5-diethyl-1-[[2-fluoro-4-(7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methyl]pyrazol-4-yl]acetic acid is CCc1nn(Cc2ccc(-c3nc4c(C)cncc4[nH]3)cc2F)c(CC)c1CC(=O)O.
What is the InChIKey of 2-[3,5-diethyl-1-[[2-fluoro-4-(7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methyl]pyrazol-4-yl]acetic acid?
The InChIKey is GRPLVTGQWDQXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O2/c1-4-18-16(9-21(30)31)20(5-2)29(28-18)12-15-7-6-14(8-17(15)24)23-26-19-11-25-10-13(3)22(19)27-23/h6-8,10-11H,4-5,9,12H2,1-3H3,(H,26,27)(H,30,31).
What are the key properties of 2-[3,5-diethyl-1-[[2-fluoro-4-(7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methyl]pyrazol-4-yl]acetic acid?
2-[3,5-diethyl-1-[[2-fluoro-4-(7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methyl]pyrazol-4-yl]acetic acid has a molecular weight of 421.48 g/mol, XLogP of 4.07, 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-[[2-fluoro-4-(7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methyl]pyrazol-4-yl]acetic acid is sourced from PubChem (CID 122198046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).