2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-8-(2-chloro-4-methoxyphenyl)imidazo[1,5-a]pyrazin-3-one

C20H14Cl2N6O2 — CID 137368710

IUPAC2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-8-(2-chloro-4-methoxyphenyl)imidazo[1,5-a]pyrazin-3-one
SMILESCOc1ccc(-c2nccn3c(=O)n(Cc4nc5nc(Cl)ccc5[nH]4)cc23)c(Cl)c1
InChIInChI=1S/C20H14Cl2N6O2/c1-30-11-2-3-12(13(21)8-11)18-15-9-27(20(29)28(15)7-6-23-18)10-17-24-14-4-5-16(22)25-19(14)26-17/h2-9H,10H2,1H3,(H,24,25,26)
InChIKeyBLNOJIZUKBESDM-UHFFFAOYSA-N
MW441.28 g/mol
LogP3.80
Rot. Bonds4

About 2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-8-(2-chloro-4-methoxyphenyl)imidazo[1,5-a]pyrazin-3-one

2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-8-(2-chloro-4-methoxyphenyl)imidazo[1,5-a]pyrazin-3-one (PubChem CID 137368710) has the molecular formula C20H14Cl2N6O2 and a molecular weight of 441.28 g/mol. Its IUPAC name is 2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-8-(2-chloro-4-methoxyphenyl)imidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-8-(2-chloro-4-methoxyphenyl)imidazo[1,5-a]pyrazin-3-one
PubChem CID137368710
Molecular FormulaC20H14Cl2N6O2
Molecular Weight441.28 g/mol
Exact Mass440.06
IUPAC Name2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-8-(2-chloro-4-methoxyphenyl)imidazo[1,5-a]pyrazin-3-one
SMILESCOc1ccc(-c2nccn3c(=O)n(Cc4nc5nc(Cl)ccc5[nH]4)cc23)c(Cl)c1
InChIInChI=1S/C20H14Cl2N6O2/c1-30-11-2-3-12(13(21)8-11)18-15-9-27(20(29)28(15)7-6-23-18)10-17-24-14-4-5-16(22)25-19(14)26-17/h2-9H,10H2,1H3,(H,24,25,26)
InChIKeyBLNOJIZUKBESDM-UHFFFAOYSA-N
XLogP3.80
TPSA90.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.28
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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]-8-(2-chloro-4-methoxyphenyl)imidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-8-(2-chloro-4-methoxyphenyl)imidazo[1,5-a]pyrazin-3-one (CID 137368710) is 2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-8-(2-chloro-4-methoxyphenyl)imidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-8-(2-chloro-4-methoxyphenyl)imidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-8-(2-chloro-4-methoxyphenyl)imidazo[1,5-a]pyrazin-3-one is COc1ccc(-c2nccn3c(=O)n(Cc4nc5nc(Cl)ccc5[nH]4)cc23)c(Cl)c1.
What is the InChIKey of 2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-8-(2-chloro-4-methoxyphenyl)imidazo[1,5-a]pyrazin-3-one?
The InChIKey is BLNOJIZUKBESDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N6O2/c1-30-11-2-3-12(13(21)8-11)18-15-9-27(20(29)28(15)7-6-23-18)10-17-24-14-4-5-16(22)25-19(14)26-17/h2-9H,10H2,1H3,(H,24,25,26).
What are the key properties of 2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-8-(2-chloro-4-methoxyphenyl)imidazo[1,5-a]pyrazin-3-one?
2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-8-(2-chloro-4-methoxyphenyl)imidazo[1,5-a]pyrazin-3-one has a molecular weight of 441.28 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-8-(2-chloro-4-methoxyphenyl)imidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 137368710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).