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

C44H34Cl4N12O3 — CID 157458375

IUPAC2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-amine;N-[2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]acetamide
SMILESCOc1ccc(-c2ccc(N)c3nc(Cc4nc5nc(Cl)ccc5[nH]4)cn23)c(Cl)c1.COc1ccc(-c2ccc(NC(C)=O)c3nc(Cc4nc5nc(Cl)ccc5[nH]4)cn23)c(Cl)c1
InChIInChI=1S/C23H18Cl2N6O2.C21H16Cl2N6O/c1-12(32)26-18-5-7-19(15-4-3-14(33-2)10-16(15)24)31-11-13(27-23(18)31)9-21-28-17-6-8-20(25)29-22(17)30-21;1-30-12-2-3-13(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/h3-8,10-11H,9H2,1-2H3,(H,26,32)(H,28,29,30);2-7,9-10H,8,24H2,1H3,(H,26,27,28)
InChIKeyBTQBDIPDMJUKAO-UHFFFAOYSA-N
MW920.65 g/mol
LogP9.90
Rot. Bonds9

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

2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-amine;N-[2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]acetamide (PubChem CID 157458375) has the molecular formula C44H34Cl4N12O3 and a molecular weight of 920.65 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;N-[2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]acetamide.

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;N-[2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]acetamide
PubChem CID157458375
Molecular FormulaC44H34Cl4N12O3
Molecular Weight920.65 g/mol
Exact Mass918.16
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;N-[2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]acetamide
SMILESCOc1ccc(-c2ccc(N)c3nc(Cc4nc5nc(Cl)ccc5[nH]4)cn23)c(Cl)c1.COc1ccc(-c2ccc(NC(C)=O)c3nc(Cc4nc5nc(Cl)ccc5[nH]4)cn23)c(Cl)c1
InChIInChI=1S/C23H18Cl2N6O2.C21H16Cl2N6O/c1-12(32)26-18-5-7-19(15-4-3-14(33-2)10-16(15)24)31-11-13(27-23(18)31)9-21-28-17-6-8-20(25)29-22(17)30-21;1-30-12-2-3-13(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/h3-8,10-11H,9H2,1-2H3,(H,26,32)(H,28,29,30);2-7,9-10H,8,24H2,1H3,(H,26,27,28)
InChIKeyBTQBDIPDMJUKAO-UHFFFAOYSA-N
XLogP9.90
TPSA191.32 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500920.65
LogP ≤ 59.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-amine;N-[2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]acetamide with MolForge

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Related Compounds

5-chloro-2-[[5-(2-chloro-4,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine
CID 137368571
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
2-[[5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-5-fluoro-1H-imidazo[4,5-b]pyridine
CID 137368650
2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyrazine
CID 137368762
5-chloro-2-[[5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine
CID 137368834
5-chloro-2-[[5-(2-chloro-4-ethoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine
CID 137368907
US11420970, Example 181
CID 156073161
US11420970, Example 187
CID 156073176
US11420970, Example 216
CID 156073282
US11420970, Example 242
CID 156073388
US11420970, Example 213
CID 156073466
US11420970, Example 236
CID 156073469

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;N-[2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]acetamide?
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;N-[2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]acetamide (CID 157458375) 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;N-[2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]acetamide.
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;N-[2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]acetamide?
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;N-[2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]acetamide is COc1ccc(-c2ccc(N)c3nc(Cc4nc5nc(Cl)ccc5[nH]4)cn23)c(Cl)c1.COc1ccc(-c2ccc(NC(C)=O)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;N-[2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]acetamide?
The InChIKey is BTQBDIPDMJUKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N6O2.C21H16Cl2N6O/c1-12(32)26-18-5-7-19(15-4-3-14(33-2)10-16(15)24)31-11-13(27-23(18)31)9-21-28-17-6-8-20(25)29-22(17)30-21;1-30-12-2-3-13(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/h3-8,10-11H,9H2,1-2H3,(H,26,32)(H,28,29,30);2-7,9-10H,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;N-[2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]acetamide?
2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-amine;N-[2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]acetamide has a molecular weight of 920.65 g/mol, XLogP of 9.90, 9 rotatable bonds, 4 hydrogen bond donors, and 12 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;N-[2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]acetamide is sourced from PubChem (CID 157458375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).