N-[6-(5-fluoro-2-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide

C24H22FN3O5 — CID 46943953

IUPACN-[6-(5-fluoro-2-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide
SMILESCOc1ccc(F)cc1-c1cc(NC=O)c2ncc(-c3cc(OC)c(OC)c(OC)c3)n2c1
InChIInChI=1S/C24H22FN3O5/c1-30-20-6-5-16(25)10-17(20)15-7-18(27-13-29)24-26-11-19(28(24)12-15)14-8-21(31-2)23(33-4)22(9-14)32-3/h5-13H,1-4H3,(H,27,29)
InChIKeyKEJUWAZNDNMWJN-UHFFFAOYSA-N
MW451.45 g/mol
LogP4.41
Rot. Bonds8

About N-[6-(5-fluoro-2-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide

N-[6-(5-fluoro-2-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide (PubChem CID 46943953) has the molecular formula C24H22FN3O5 and a molecular weight of 451.45 g/mol. Its IUPAC name is N-[6-(5-fluoro-2-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide.

Molecular Properties

Compound NameN-[6-(5-fluoro-2-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide
PubChem CID46943953
Molecular FormulaC24H22FN3O5
Molecular Weight451.45 g/mol
Exact Mass451.15
IUPAC NameN-[6-(5-fluoro-2-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide
SMILESCOc1ccc(F)cc1-c1cc(NC=O)c2ncc(-c3cc(OC)c(OC)c(OC)c3)n2c1
InChIInChI=1S/C24H22FN3O5/c1-30-20-6-5-16(25)10-17(20)15-7-18(27-13-29)24-26-11-19(28(24)12-15)14-8-21(31-2)23(33-4)22(9-14)32-3/h5-13H,1-4H3,(H,27,29)
InChIKeyKEJUWAZNDNMWJN-UHFFFAOYSA-N
XLogP4.41
TPSA83.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.45
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-(5-fluoro-2-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide?
The IUPAC name of N-[6-(5-fluoro-2-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide (CID 46943953) is N-[6-(5-fluoro-2-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide.
What is the SMILES notation for N-[6-(5-fluoro-2-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide?
The canonical SMILES for N-[6-(5-fluoro-2-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide is COc1ccc(F)cc1-c1cc(NC=O)c2ncc(-c3cc(OC)c(OC)c(OC)c3)n2c1.
What is the InChIKey of N-[6-(5-fluoro-2-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide?
The InChIKey is KEJUWAZNDNMWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O5/c1-30-20-6-5-16(25)10-17(20)15-7-18(27-13-29)24-26-11-19(28(24)12-15)14-8-21(31-2)23(33-4)22(9-14)32-3/h5-13H,1-4H3,(H,27,29).
What are the key properties of N-[6-(5-fluoro-2-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide?
N-[6-(5-fluoro-2-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide has a molecular weight of 451.45 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-fluoro-2-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide is sourced from PubChem (CID 46943953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).