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

C28H23FN4O3 — CID 90095115

IUPACN-(3,4-dimethoxyphenyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc3ccc(-c4cccnc4-c4ccc(F)c(C)c4)cn23)cc1OC
InChIInChI=1S/C28H23FN4O3/c1-17-13-18(6-9-22(17)29)27-21(5-4-12-30-27)19-7-11-26-31-15-23(33(26)16-19)28(34)32-20-8-10-24(35-2)25(14-20)36-3/h4-16H,1-3H3,(H,32,34)
InChIKeyCZEZGNXVVRKONR-UHFFFAOYSA-N
MW482.52 g/mol
LogP5.78
Rot. Bonds6

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

N-(3,4-dimethoxyphenyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 90095115) has the molecular formula C28H23FN4O3 and a molecular weight of 482.52 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID90095115
Molecular FormulaC28H23FN4O3
Molecular Weight482.52 g/mol
Exact Mass482.18
IUPAC NameN-(3,4-dimethoxyphenyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc3ccc(-c4cccnc4-c4ccc(F)c(C)c4)cn23)cc1OC
InChIInChI=1S/C28H23FN4O3/c1-17-13-18(6-9-22(17)29)27-21(5-4-12-30-27)19-7-11-26-31-15-23(33(26)16-19)28(34)32-20-8-10-24(35-2)25(14-20)36-3/h4-16H,1-3H3,(H,32,34)
InChIKeyCZEZGNXVVRKONR-UHFFFAOYSA-N
XLogP5.78
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.52
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 90095115) is N-(3,4-dimethoxyphenyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide is COc1ccc(NC(=O)c2cnc3ccc(-c4cccnc4-c4ccc(F)c(C)c4)cn23)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is CZEZGNXVVRKONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN4O3/c1-17-13-18(6-9-22(17)29)27-21(5-4-12-30-27)19-7-11-26-31-15-23(33(26)16-19)28(34)32-20-8-10-24(35-2)25(14-20)36-3/h4-16H,1-3H3,(H,32,34).
What are the key properties of N-(3,4-dimethoxyphenyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide?
N-(3,4-dimethoxyphenyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 482.52 g/mol, XLogP of 5.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 90095115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).