6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-3-carboxamide

C29H25FN4O4 — CID 90095812

IUPAC6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cnc3ccc(-c4cccnc4-c4ccc(F)c(C)c4)cn23)cc(OC)c1OC
InChIInChI=1S/C29H25FN4O4/c1-17-12-18(7-9-22(17)30)27-21(6-5-11-31-27)19-8-10-26-32-15-23(34(26)16-19)29(35)33-20-13-24(36-2)28(38-4)25(14-20)37-3/h5-16H,1-4H3,(H,33,35)
InChIKeyIPPVKRPLSKHHKM-UHFFFAOYSA-N
MW512.54 g/mol
LogP5.79
Rot. Bonds7

About 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-3-carboxamide

6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 90095812) has the molecular formula C29H25FN4O4 and a molecular weight of 512.54 g/mol. Its IUPAC name is 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID90095812
Molecular FormulaC29H25FN4O4
Molecular Weight512.54 g/mol
Exact Mass512.19
IUPAC Name6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cnc3ccc(-c4cccnc4-c4ccc(F)c(C)c4)cn23)cc(OC)c1OC
InChIInChI=1S/C29H25FN4O4/c1-17-12-18(7-9-22(17)30)27-21(6-5-11-31-27)19-8-10-26-32-15-23(34(26)16-19)29(35)33-20-13-24(36-2)28(38-4)25(14-20)37-3/h5-16H,1-4H3,(H,33,35)
InChIKeyIPPVKRPLSKHHKM-UHFFFAOYSA-N
XLogP5.79
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.54
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-3-carboxamide (CID 90095812) is 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-3-carboxamide is COc1cc(NC(=O)c2cnc3ccc(-c4cccnc4-c4ccc(F)c(C)c4)cn23)cc(OC)c1OC.
What is the InChIKey of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is IPPVKRPLSKHHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25FN4O4/c1-17-12-18(7-9-22(17)30)27-21(6-5-11-31-27)19-8-10-26-32-15-23(34(26)16-19)29(35)33-20-13-24(36-2)28(38-4)25(14-20)37-3/h5-16H,1-4H3,(H,33,35).
What are the key properties of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-3-carboxamide?
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 512.54 g/mol, XLogP of 5.79, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 90095812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).