[5-[6-[(6-fluoro-3-pyridinyl)-methylcarbamoyl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamic acid

C20H15FN6O3 — CID 175569721

IUPAC[5-[6-[(6-fluoro-3-pyridinyl)-methylcarbamoyl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamic acid
SMILESCN(C(=O)c1ccc2ncc(-c3ccc(NC(=O)O)nc3)n2c1)c1ccc(F)nc1
InChIInChI=1S/C20H15FN6O3/c1-26(14-4-5-16(21)22-9-14)19(28)13-3-7-18-24-10-15(27(18)11-13)12-2-6-17(23-8-12)25-20(29)30/h2-11H,1H3,(H,23,25)(H,29,30)
InChIKeyYSGKXPQCDMVOJQ-UHFFFAOYSA-N
MW406.38 g/mol
LogP3.30
Rot. Bonds4

About [5-[6-[(6-fluoro-3-pyridinyl)-methylcarbamoyl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamic acid

[5-[6-[(6-fluoro-3-pyridinyl)-methylcarbamoyl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamic acid (PubChem CID 175569721) has the molecular formula C20H15FN6O3 and a molecular weight of 406.38 g/mol. Its IUPAC name is [5-[6-[(6-fluoro-3-pyridinyl)-methylcarbamoyl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[5-[6-[(6-fluoro-3-pyridinyl)-methylcarbamoyl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamic acid
PubChem CID175569721
Molecular FormulaC20H15FN6O3
Molecular Weight406.38 g/mol
Exact Mass406.12
IUPAC Name[5-[6-[(6-fluoro-3-pyridinyl)-methylcarbamoyl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamic acid
SMILESCN(C(=O)c1ccc2ncc(-c3ccc(NC(=O)O)nc3)n2c1)c1ccc(F)nc1
InChIInChI=1S/C20H15FN6O3/c1-26(14-4-5-16(21)22-9-14)19(28)13-3-7-18-24-10-15(27(18)11-13)12-2-6-17(23-8-12)25-20(29)30/h2-11H,1H3,(H,23,25)(H,29,30)
InChIKeyYSGKXPQCDMVOJQ-UHFFFAOYSA-N
XLogP3.30
TPSA112.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.38
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-[6-[(6-fluoro-3-pyridinyl)-methylcarbamoyl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamic acid?
The IUPAC name of [5-[6-[(6-fluoro-3-pyridinyl)-methylcarbamoyl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamic acid (CID 175569721) is [5-[6-[(6-fluoro-3-pyridinyl)-methylcarbamoyl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamic acid.
What is the SMILES notation for [5-[6-[(6-fluoro-3-pyridinyl)-methylcarbamoyl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamic acid?
The canonical SMILES for [5-[6-[(6-fluoro-3-pyridinyl)-methylcarbamoyl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamic acid is CN(C(=O)c1ccc2ncc(-c3ccc(NC(=O)O)nc3)n2c1)c1ccc(F)nc1.
What is the InChIKey of [5-[6-[(6-fluoro-3-pyridinyl)-methylcarbamoyl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamic acid?
The InChIKey is YSGKXPQCDMVOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN6O3/c1-26(14-4-5-16(21)22-9-14)19(28)13-3-7-18-24-10-15(27(18)11-13)12-2-6-17(23-8-12)25-20(29)30/h2-11H,1H3,(H,23,25)(H,29,30).
What are the key properties of [5-[6-[(6-fluoro-3-pyridinyl)-methylcarbamoyl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamic acid?
[5-[6-[(6-fluoro-3-pyridinyl)-methylcarbamoyl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamic acid has a molecular weight of 406.38 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[6-[(6-fluoro-3-pyridinyl)-methylcarbamoyl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamic acid is sourced from PubChem (CID 175569721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).