3-[6-bromo-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]benzoic acid

C19H18BrN3O2 — CID 44517725

IUPAC3-[6-bromo-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]benzoic acid
SMILESO=C(O)c1cccc(-c2nc3ccc(Br)cn3c2NC2CCCC2)c1
InChIInChI=1S/C19H18BrN3O2/c20-14-8-9-16-22-17(12-4-3-5-13(10-12)19(24)25)18(23(16)11-14)21-15-6-1-2-7-15/h3-5,8-11,15,21H,1-2,6-7H2,(H,24,25)
InChIKeyZJVBDOBWJUWPNC-UHFFFAOYSA-N
MW400.28 g/mol
LogP4.82
Rot. Bonds4

About 3-[6-bromo-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]benzoic acid

3-[6-bromo-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]benzoic acid (PubChem CID 44517725) has the molecular formula C19H18BrN3O2 and a molecular weight of 400.28 g/mol. Its IUPAC name is 3-[6-bromo-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]benzoic acid.

Molecular Properties

Compound Name3-[6-bromo-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]benzoic acid
PubChem CID44517725
Molecular FormulaC19H18BrN3O2
Molecular Weight400.28 g/mol
Exact Mass399.06
IUPAC Name3-[6-bromo-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]benzoic acid
SMILESO=C(O)c1cccc(-c2nc3ccc(Br)cn3c2NC2CCCC2)c1
InChIInChI=1S/C19H18BrN3O2/c20-14-8-9-16-22-17(12-4-3-5-13(10-12)19(24)25)18(23(16)11-14)21-15-6-1-2-7-15/h3-5,8-11,15,21H,1-2,6-7H2,(H,24,25)
InChIKeyZJVBDOBWJUWPNC-UHFFFAOYSA-N
XLogP4.82
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.28
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[6-bromo-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]benzoic acid?
The IUPAC name of 3-[6-bromo-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]benzoic acid (CID 44517725) is 3-[6-bromo-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]benzoic acid.
What is the SMILES notation for 3-[6-bromo-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]benzoic acid?
The canonical SMILES for 3-[6-bromo-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]benzoic acid is O=C(O)c1cccc(-c2nc3ccc(Br)cn3c2NC2CCCC2)c1.
What is the InChIKey of 3-[6-bromo-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]benzoic acid?
The InChIKey is ZJVBDOBWJUWPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O2/c20-14-8-9-16-22-17(12-4-3-5-13(10-12)19(24)25)18(23(16)11-14)21-15-6-1-2-7-15/h3-5,8-11,15,21H,1-2,6-7H2,(H,24,25).
What are the key properties of 3-[6-bromo-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]benzoic acid?
3-[6-bromo-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]benzoic acid has a molecular weight of 400.28 g/mol, XLogP of 4.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-bromo-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]benzoic acid is sourced from PubChem (CID 44517725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).