N-(4-carbamoylphenyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide

C27H20FN5O2 — CID 90094803

IUPACN-(4-carbamoylphenyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cc(-c2ncccc2-c2ccc3ncc(C(=O)Nc4ccc(C(N)=O)cc4)n3c2)ccc1F
InChIInChI=1S/C27H20FN5O2/c1-16-13-18(6-10-22(16)28)25-21(3-2-12-30-25)19-7-11-24-31-14-23(33(24)15-19)27(35)32-20-8-4-17(5-9-20)26(29)34/h2-15H,1H3,(H2,29,34)(H,32,35)
InChIKeyPSBUYFBJAVTDGW-UHFFFAOYSA-N
MW465.49 g/mol
LogP4.86
Rot. Bonds5

About N-(4-carbamoylphenyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide

N-(4-carbamoylphenyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 90094803) has the molecular formula C27H20FN5O2 and a molecular weight of 465.49 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID90094803
Molecular FormulaC27H20FN5O2
Molecular Weight465.49 g/mol
Exact Mass465.16
IUPAC NameN-(4-carbamoylphenyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cc(-c2ncccc2-c2ccc3ncc(C(=O)Nc4ccc(C(N)=O)cc4)n3c2)ccc1F
InChIInChI=1S/C27H20FN5O2/c1-16-13-18(6-10-22(16)28)25-21(3-2-12-30-25)19-7-11-24-31-14-23(33(24)15-19)27(35)32-20-8-4-17(5-9-20)26(29)34/h2-15H,1H3,(H2,29,34)(H,32,35)
InChIKeyPSBUYFBJAVTDGW-UHFFFAOYSA-N
XLogP4.86
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.49
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 90094803) is N-(4-carbamoylphenyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)Nc4ccc(C(N)=O)cc4)n3c2)ccc1F.
What is the InChIKey of N-(4-carbamoylphenyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is PSBUYFBJAVTDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20FN5O2/c1-16-13-18(6-10-22(16)28)25-21(3-2-12-30-25)19-7-11-24-31-14-23(33(24)15-19)27(35)32-20-8-4-17(5-9-20)26(29)34/h2-15H,1H3,(H2,29,34)(H,32,35).
What are the key properties of N-(4-carbamoylphenyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide?
N-(4-carbamoylphenyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 465.49 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 90094803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).