2-[[5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-5-fluoro-1H-imidazo[4,5-b]pyridine

C21H15ClFN5O — CID 137368650

IUPAC2-[[5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-5-fluoro-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc(-c2cccc3nc(Cc4nc5nc(F)ccc5[nH]4)cn23)c(Cl)c1
InChIInChI=1S/C21H15ClFN5O/c1-29-13-5-6-14(15(22)10-13)17-3-2-4-20-24-12(11-28(17)20)9-19-25-16-7-8-18(23)26-21(16)27-19/h2-8,10-11H,9H2,1H3,(H,25,26,27)
InChIKeyJKAMKWGDWZVBRR-UHFFFAOYSA-N
MW407.84 g/mol
LogP4.66
Rot. Bonds4

About 2-[[5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-5-fluoro-1H-imidazo[4,5-b]pyridine

2-[[5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-5-fluoro-1H-imidazo[4,5-b]pyridine (PubChem CID 137368650) has the molecular formula C21H15ClFN5O and a molecular weight of 407.84 g/mol. Its IUPAC name is 2-[[5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-5-fluoro-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[[5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-5-fluoro-1H-imidazo[4,5-b]pyridine
PubChem CID137368650
Molecular FormulaC21H15ClFN5O
Molecular Weight407.84 g/mol
Exact Mass407.09
IUPAC Name2-[[5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-5-fluoro-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc(-c2cccc3nc(Cc4nc5nc(F)ccc5[nH]4)cn23)c(Cl)c1
InChIInChI=1S/C21H15ClFN5O/c1-29-13-5-6-14(15(22)10-13)17-3-2-4-20-24-12(11-28(17)20)9-19-25-16-7-8-18(23)26-21(16)27-19/h2-8,10-11H,9H2,1H3,(H,25,26,27)
InChIKeyJKAMKWGDWZVBRR-UHFFFAOYSA-N
XLogP4.66
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.84
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-[[5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-5-fluoro-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[[5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-5-fluoro-1H-imidazo[4,5-b]pyridine (CID 137368650) is 2-[[5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-5-fluoro-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[[5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-5-fluoro-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[[5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-5-fluoro-1H-imidazo[4,5-b]pyridine is COc1ccc(-c2cccc3nc(Cc4nc5nc(F)ccc5[nH]4)cn23)c(Cl)c1.
What is the InChIKey of 2-[[5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-5-fluoro-1H-imidazo[4,5-b]pyridine?
The InChIKey is JKAMKWGDWZVBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFN5O/c1-29-13-5-6-14(15(22)10-13)17-3-2-4-20-24-12(11-28(17)20)9-19-25-16-7-8-18(23)26-21(16)27-19/h2-8,10-11H,9H2,1H3,(H,25,26,27).
What are the key properties of 2-[[5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-5-fluoro-1H-imidazo[4,5-b]pyridine?
2-[[5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-5-fluoro-1H-imidazo[4,5-b]pyridine has a molecular weight of 407.84 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-5-fluoro-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 137368650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).