2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]butanoic acid

C21H19N5O2 — CID 67312274

IUPAC2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]butanoic acid
SMILESCCC(C(=O)O)c1ccc(-n2c(-c3cccnc3N)nc3cccnc32)cc1
InChIInChI=1S/C21H19N5O2/c1-2-15(21(27)28)13-7-9-14(10-8-13)26-19(16-5-3-11-23-18(16)22)25-17-6-4-12-24-20(17)26/h3-12,15H,2H2,1H3,(H2,22,23)(H,27,28)
InChIKeyDGDHHMBYWLYRHM-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.64
Rot. Bonds5

About 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]butanoic acid

2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]butanoic acid (PubChem CID 67312274) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]butanoic acid.

Molecular Properties

Compound Name2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]butanoic acid
PubChem CID67312274
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]butanoic acid
SMILESCCC(C(=O)O)c1ccc(-n2c(-c3cccnc3N)nc3cccnc32)cc1
InChIInChI=1S/C21H19N5O2/c1-2-15(21(27)28)13-7-9-14(10-8-13)26-19(16-5-3-11-23-18(16)22)25-17-6-4-12-24-20(17)26/h3-12,15H,2H2,1H3,(H2,22,23)(H,27,28)
InChIKeyDGDHHMBYWLYRHM-UHFFFAOYSA-N
XLogP3.64
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]butanoic acid?
The IUPAC name of 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]butanoic acid (CID 67312274) is 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]butanoic acid.
What is the SMILES notation for 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]butanoic acid?
The canonical SMILES for 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]butanoic acid is CCC(C(=O)O)c1ccc(-n2c(-c3cccnc3N)nc3cccnc32)cc1.
What is the InChIKey of 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]butanoic acid?
The InChIKey is DGDHHMBYWLYRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-2-15(21(27)28)13-7-9-14(10-8-13)26-19(16-5-3-11-23-18(16)22)25-17-6-4-12-24-20(17)26/h3-12,15H,2H2,1H3,(H2,22,23)(H,27,28).
What are the key properties of 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]butanoic acid?
2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]butanoic acid has a molecular weight of 373.42 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]butanoic acid is sourced from PubChem (CID 67312274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).