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

C22H17ClFN5O2 — CID 137368580

IUPAC2-[[5-(2-chloro-4,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-5-fluoro-1H-imidazo[4,5-b]pyridine
SMILESCOc1cc(Cl)c(-c2cccc3nc(Cc4nc5nc(F)ccc5[nH]4)cn23)cc1OC
InChIInChI=1S/C22H17ClFN5O2/c1-30-17-9-13(14(23)10-18(17)31-2)16-4-3-5-21-25-12(11-29(16)21)8-20-26-15-6-7-19(24)27-22(15)28-20/h3-7,9-11H,8H2,1-2H3,(H,26,27,28)
InChIKeyCNGXMHCXLBWZKH-UHFFFAOYSA-N
MW437.86 g/mol
LogP4.67
Rot. Bonds5

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

2-[[5-(2-chloro-4,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-5-fluoro-1H-imidazo[4,5-b]pyridine (PubChem CID 137368580) has the molecular formula C22H17ClFN5O2 and a molecular weight of 437.86 g/mol. Its IUPAC name is 2-[[5-(2-chloro-4,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-5-fluoro-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[[5-(2-chloro-4,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-5-fluoro-1H-imidazo[4,5-b]pyridine
PubChem CID137368580
Molecular FormulaC22H17ClFN5O2
Molecular Weight437.86 g/mol
Exact Mass437.11
IUPAC Name2-[[5-(2-chloro-4,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-5-fluoro-1H-imidazo[4,5-b]pyridine
SMILESCOc1cc(Cl)c(-c2cccc3nc(Cc4nc5nc(F)ccc5[nH]4)cn23)cc1OC
InChIInChI=1S/C22H17ClFN5O2/c1-30-17-9-13(14(23)10-18(17)31-2)16-4-3-5-21-25-12(11-29(16)21)8-20-26-15-6-7-19(24)27-22(15)28-20/h3-7,9-11H,8H2,1-2H3,(H,26,27,28)
InChIKeyCNGXMHCXLBWZKH-UHFFFAOYSA-N
XLogP4.67
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.86
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-4,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-5-fluoro-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[[5-(2-chloro-4,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-5-fluoro-1H-imidazo[4,5-b]pyridine (CID 137368580) is 2-[[5-(2-chloro-4,5-dimethoxyphenyl)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-4,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-5-fluoro-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[[5-(2-chloro-4,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-5-fluoro-1H-imidazo[4,5-b]pyridine is COc1cc(Cl)c(-c2cccc3nc(Cc4nc5nc(F)ccc5[nH]4)cn23)cc1OC.
What is the InChIKey of 2-[[5-(2-chloro-4,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-5-fluoro-1H-imidazo[4,5-b]pyridine?
The InChIKey is CNGXMHCXLBWZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFN5O2/c1-30-17-9-13(14(23)10-18(17)31-2)16-4-3-5-21-25-12(11-29(16)21)8-20-26-15-6-7-19(24)27-22(15)28-20/h3-7,9-11H,8H2,1-2H3,(H,26,27,28).
What are the key properties of 2-[[5-(2-chloro-4,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-5-fluoro-1H-imidazo[4,5-b]pyridine?
2-[[5-(2-chloro-4,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-5-fluoro-1H-imidazo[4,5-b]pyridine has a molecular weight of 437.86 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-chloro-4,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-5-fluoro-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 137368580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).