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

C20H14Cl2N6O — CID 137368762

IUPAC2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyrazine
SMILESCOc1ccc(-c2cncc3nc(Cc4nc5nc(Cl)ccc5[nH]4)cn23)c(Cl)c1
InChIInChI=1S/C20H14Cl2N6O/c1-29-12-2-3-13(14(21)7-12)16-8-23-9-19-24-11(10-28(16)19)6-18-25-15-4-5-17(22)26-20(15)27-18/h2-5,7-10H,6H2,1H3,(H,25,26,27)
InChIKeyMUKRAALRIIUECY-UHFFFAOYSA-N
MW425.28 g/mol
LogP4.57
Rot. Bonds4

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

2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyrazine (PubChem CID 137368762) has the molecular formula C20H14Cl2N6O and a molecular weight of 425.28 g/mol. Its IUPAC name is 2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyrazine
PubChem CID137368762
Molecular FormulaC20H14Cl2N6O
Molecular Weight425.28 g/mol
Exact Mass424.06
IUPAC Name2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyrazine
SMILESCOc1ccc(-c2cncc3nc(Cc4nc5nc(Cl)ccc5[nH]4)cn23)c(Cl)c1
InChIInChI=1S/C20H14Cl2N6O/c1-29-12-2-3-13(14(21)7-12)16-8-23-9-19-24-11(10-28(16)19)6-18-25-15-4-5-17(22)26-20(15)27-18/h2-5,7-10H,6H2,1H3,(H,25,26,27)
InChIKeyMUKRAALRIIUECY-UHFFFAOYSA-N
XLogP4.57
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.28
LogP ≤ 54.57
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-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyrazine (CID 137368762) is 2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyrazine is COc1ccc(-c2cncc3nc(Cc4nc5nc(Cl)ccc5[nH]4)cn23)c(Cl)c1.
What is the InChIKey of 2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyrazine?
The InChIKey is MUKRAALRIIUECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N6O/c1-29-12-2-3-13(14(21)7-12)16-8-23-9-19-24-11(10-28(16)19)6-18-25-15-4-5-17(22)26-20(15)27-18/h2-5,7-10H,6H2,1H3,(H,25,26,27).
What are the key properties of 2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyrazine?
2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyrazine has a molecular weight of 425.28 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 137368762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).