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

C21H16Cl2N6O — CID 137369318

IUPAC2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-amine
SMILESCOc1ccc(-c2ccc(N)c3nc(Cc4nc5nc(Cl)ccc5[nH]4)cn23)c(Cl)c1
InChIInChI=1S/C21H16Cl2N6O/c1-30-12-2-3-13(14(22)9-12)17-6-4-15(24)21-25-11(10-29(17)21)8-19-26-16-5-7-18(23)27-20(16)28-19/h2-7,9-10H,8,24H2,1H3,(H,26,27,28)
InChIKeyBLIZHIKWSCNMAV-UHFFFAOYSA-N
MW439.31 g/mol
LogP4.76
Rot. Bonds4

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

2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-amine (PubChem CID 137369318) has the molecular formula C21H16Cl2N6O and a molecular weight of 439.31 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]pyridin-8-amine.

Molecular Properties

Compound Name2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-amine
PubChem CID137369318
Molecular FormulaC21H16Cl2N6O
Molecular Weight439.31 g/mol
Exact Mass438.08
IUPAC Name2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-amine
SMILESCOc1ccc(-c2ccc(N)c3nc(Cc4nc5nc(Cl)ccc5[nH]4)cn23)c(Cl)c1
InChIInChI=1S/C21H16Cl2N6O/c1-30-12-2-3-13(14(22)9-12)17-6-4-15(24)21-25-11(10-29(17)21)8-19-26-16-5-7-18(23)27-20(16)28-19/h2-7,9-10H,8,24H2,1H3,(H,26,27,28)
InChIKeyBLIZHIKWSCNMAV-UHFFFAOYSA-N
XLogP4.76
TPSA94.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.31
LogP ≤ 54.76
H-Bond Donors ≤ 52
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]pyridin-8-amine?
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]pyridin-8-amine (CID 137369318) is 2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-amine.
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]pyridin-8-amine?
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]pyridin-8-amine is COc1ccc(-c2ccc(N)c3nc(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]pyridin-8-amine?
The InChIKey is BLIZHIKWSCNMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N6O/c1-30-12-2-3-13(14(22)9-12)17-6-4-15(24)21-25-11(10-29(17)21)8-19-26-16-5-7-18(23)27-20(16)28-19/h2-7,9-10H,8,24H2,1H3,(H,26,27,28).
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]pyridin-8-amine?
2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-amine has a molecular weight of 439.31 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 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]pyridin-8-amine is sourced from PubChem (CID 137369318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).