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

C20H18ClN5O2 — CID 122197993

IUPAC2-[1-[[4-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
SMILESCc1nn(Cc2ccc(-c3nc4ncc(Cl)cc4[nH]3)cc2)c(C)c1CC(=O)O
InChIInChI=1S/C20H18ClN5O2/c1-11-16(8-18(27)28)12(2)26(25-11)10-13-3-5-14(6-4-13)19-23-17-7-15(21)9-22-20(17)24-19/h3-7,9H,8,10H2,1-2H3,(H,27,28)(H,22,23,24)
InChIKeyNHRAKMJGYBWQQU-UHFFFAOYSA-N
MW395.85 g/mol
LogP3.77
Rot. Bonds5

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

2-[1-[[4-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid (PubChem CID 122197993) has the molecular formula C20H18ClN5O2 and a molecular weight of 395.85 g/mol. Its IUPAC name is 2-[1-[[4-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[[4-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
PubChem CID122197993
Molecular FormulaC20H18ClN5O2
Molecular Weight395.85 g/mol
Exact Mass395.11
IUPAC Name2-[1-[[4-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
SMILESCc1nn(Cc2ccc(-c3nc4ncc(Cl)cc4[nH]3)cc2)c(C)c1CC(=O)O
InChIInChI=1S/C20H18ClN5O2/c1-11-16(8-18(27)28)12(2)26(25-11)10-13-3-5-14(6-4-13)19-23-17-7-15(21)9-22-20(17)24-19/h3-7,9H,8,10H2,1-2H3,(H,27,28)(H,22,23,24)
InChIKeyNHRAKMJGYBWQQU-UHFFFAOYSA-N
XLogP3.77
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 53.77
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-dimethylpyrazol-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-dimethylpyrazol-4-yl]acetic acid (CID 122197993) is 2-[1-[[4-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]-3,5-dimethylpyrazol-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-dimethylpyrazol-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-dimethylpyrazol-4-yl]acetic acid is Cc1nn(Cc2ccc(-c3nc4ncc(Cl)cc4[nH]3)cc2)c(C)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-dimethylpyrazol-4-yl]acetic acid?
The InChIKey is NHRAKMJGYBWQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O2/c1-11-16(8-18(27)28)12(2)26(25-11)10-13-3-5-14(6-4-13)19-23-17-7-15(21)9-22-20(17)24-19/h3-7,9H,8,10H2,1-2H3,(H,27,28)(H,22,23,24).
What are the key properties of 2-[1-[[4-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid?
2-[1-[[4-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid has a molecular weight of 395.85 g/mol, XLogP of 3.77, 5 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-dimethylpyrazol-4-yl]acetic acid is sourced from PubChem (CID 122197993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).