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

C22H22FN5O2 — CID 122198035

IUPAC2-[3,5-diethyl-1-[[2-fluoro-4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methyl]pyrazol-4-yl]acetic acid
SMILESCCc1nn(Cc2ccc(-c3nc4ccncc4[nH]3)cc2F)c(CC)c1CC(=O)O
InChIInChI=1S/C22H22FN5O2/c1-3-17-15(10-21(29)30)20(4-2)28(27-17)12-14-6-5-13(9-16(14)23)22-25-18-7-8-24-11-19(18)26-22/h5-9,11H,3-4,10,12H2,1-2H3,(H,25,26)(H,29,30)
InChIKeyCDTNWXLOZGBPGA-UHFFFAOYSA-N
MW407.45 g/mol
LogP3.76
Rot. Bonds7

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

2-[3,5-diethyl-1-[[2-fluoro-4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methyl]pyrazol-4-yl]acetic acid (PubChem CID 122198035) has the molecular formula C22H22FN5O2 and a molecular weight of 407.45 g/mol. Its IUPAC name is 2-[3,5-diethyl-1-[[2-fluoro-4-(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-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methyl]pyrazol-4-yl]acetic acid
PubChem CID122198035
Molecular FormulaC22H22FN5O2
Molecular Weight407.45 g/mol
Exact Mass407.18
IUPAC Name2-[3,5-diethyl-1-[[2-fluoro-4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methyl]pyrazol-4-yl]acetic acid
SMILESCCc1nn(Cc2ccc(-c3nc4ccncc4[nH]3)cc2F)c(CC)c1CC(=O)O
InChIInChI=1S/C22H22FN5O2/c1-3-17-15(10-21(29)30)20(4-2)28(27-17)12-14-6-5-13(9-16(14)23)22-25-18-7-8-24-11-19(18)26-22/h5-9,11H,3-4,10,12H2,1-2H3,(H,25,26)(H,29,30)
InChIKeyCDTNWXLOZGBPGA-UHFFFAOYSA-N
XLogP3.76
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-diethyl-1-[[2-fluoro-4-(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-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methyl]pyrazol-4-yl]acetic acid (CID 122198035) is 2-[3,5-diethyl-1-[[2-fluoro-4-(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-(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-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methyl]pyrazol-4-yl]acetic acid is CCc1nn(Cc2ccc(-c3nc4ccncc4[nH]3)cc2F)c(CC)c1CC(=O)O.
What is the InChIKey of 2-[3,5-diethyl-1-[[2-fluoro-4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methyl]pyrazol-4-yl]acetic acid?
The InChIKey is CDTNWXLOZGBPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O2/c1-3-17-15(10-21(29)30)20(4-2)28(27-17)12-14-6-5-13(9-16(14)23)22-25-18-7-8-24-11-19(18)26-22/h5-9,11H,3-4,10,12H2,1-2H3,(H,25,26)(H,29,30).
What are the key properties of 2-[3,5-diethyl-1-[[2-fluoro-4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methyl]pyrazol-4-yl]acetic acid?
2-[3,5-diethyl-1-[[2-fluoro-4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methyl]pyrazol-4-yl]acetic acid has a molecular weight of 407.45 g/mol, XLogP of 3.76, 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-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methyl]pyrazol-4-yl]acetic acid is sourced from PubChem (CID 122198035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).