7-[8-chloro-2-[2-(8-chloroimidazo[1,2-a]pyridin-2-yl)cyclobutyl]imidazo[1,2-a]pyridin-7-yl]-3-methyl-2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)cyclobutyl]imidazo[4,5-f]quinoline

C44H34Cl2N10 — CID 123474278

IUPAC7-[8-chloro-2-[2-(8-chloroimidazo[1,2-a]pyridin-2-yl)cyclobutyl]imidazo[1,2-a]pyridin-7-yl]-3-methyl-2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)cyclobutyl]imidazo[4,5-f]quinoline
SMILESCn1c(C2CCC2c2nc3c4ccc(-c5ccn6cc(C7CCC7c7cn8cccc(Cl)c8n7)nc6c5Cl)nc4ccc3n2C)nc2c3cccnc3ccc21
InChIInChI=1S/C44H34Cl2N10/c1-53-36-15-13-31-28(5-3-18-47-31)39(36)51-41(53)25-9-10-26(25)42-52-40-29-11-12-32(48-33(29)14-16-37(40)54(42)2)27-17-20-56-22-35(50-44(56)38(27)46)24-8-7-23(24)34-21-55-19-4-6-30(45)43(55)49-34/h3-6,11-26H,7-10H2,1-2H3
InChIKeyUCIXQYADUYASPV-UHFFFAOYSA-N
MW773.73 g/mol
LogP10.15
Rot. Bonds5

About 7-[8-chloro-2-[2-(8-chloroimidazo[1,2-a]pyridin-2-yl)cyclobutyl]imidazo[1,2-a]pyridin-7-yl]-3-methyl-2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)cyclobutyl]imidazo[4,5-f]quinoline

7-[8-chloro-2-[2-(8-chloroimidazo[1,2-a]pyridin-2-yl)cyclobutyl]imidazo[1,2-a]pyridin-7-yl]-3-methyl-2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)cyclobutyl]imidazo[4,5-f]quinoline (PubChem CID 123474278) has the molecular formula C44H34Cl2N10 and a molecular weight of 773.73 g/mol. Its IUPAC name is 7-[8-chloro-2-[2-(8-chloroimidazo[1,2-a]pyridin-2-yl)cyclobutyl]imidazo[1,2-a]pyridin-7-yl]-3-methyl-2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)cyclobutyl]imidazo[4,5-f]quinoline.

Molecular Properties

Compound Name7-[8-chloro-2-[2-(8-chloroimidazo[1,2-a]pyridin-2-yl)cyclobutyl]imidazo[1,2-a]pyridin-7-yl]-3-methyl-2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)cyclobutyl]imidazo[4,5-f]quinoline
PubChem CID123474278
Molecular FormulaC44H34Cl2N10
Molecular Weight773.73 g/mol
Exact Mass772.23
IUPAC Name7-[8-chloro-2-[2-(8-chloroimidazo[1,2-a]pyridin-2-yl)cyclobutyl]imidazo[1,2-a]pyridin-7-yl]-3-methyl-2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)cyclobutyl]imidazo[4,5-f]quinoline
SMILESCn1c(C2CCC2c2nc3c4ccc(-c5ccn6cc(C7CCC7c7cn8cccc(Cl)c8n7)nc6c5Cl)nc4ccc3n2C)nc2c3cccnc3ccc21
InChIInChI=1S/C44H34Cl2N10/c1-53-36-15-13-31-28(5-3-18-47-31)39(36)51-41(53)25-9-10-26(25)42-52-40-29-11-12-32(48-33(29)14-16-37(40)54(42)2)27-17-20-56-22-35(50-44(56)38(27)46)24-8-7-23(24)34-21-55-19-4-6-30(45)43(55)49-34/h3-6,11-26H,7-10H2,1-2H3
InChIKeyUCIXQYADUYASPV-UHFFFAOYSA-N
XLogP10.15
TPSA96.02 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.73
LogP ≤ 510.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 7-[8-chloro-2-[2-(8-chloroimidazo[1,2-a]pyridin-2-yl)cyclobutyl]imidazo[1,2-a]pyridin-7-yl]-3-methyl-2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)cyclobutyl]imidazo[4,5-f]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[8-chloro-2-[2-(8-chloroimidazo[1,2-a]pyridin-2-yl)cyclobutyl]imidazo[1,2-a]pyridin-7-yl]-3-methyl-2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)cyclobutyl]imidazo[4,5-f]quinoline?
The IUPAC name of 7-[8-chloro-2-[2-(8-chloroimidazo[1,2-a]pyridin-2-yl)cyclobutyl]imidazo[1,2-a]pyridin-7-yl]-3-methyl-2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)cyclobutyl]imidazo[4,5-f]quinoline (CID 123474278) is 7-[8-chloro-2-[2-(8-chloroimidazo[1,2-a]pyridin-2-yl)cyclobutyl]imidazo[1,2-a]pyridin-7-yl]-3-methyl-2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)cyclobutyl]imidazo[4,5-f]quinoline.
What is the SMILES notation for 7-[8-chloro-2-[2-(8-chloroimidazo[1,2-a]pyridin-2-yl)cyclobutyl]imidazo[1,2-a]pyridin-7-yl]-3-methyl-2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)cyclobutyl]imidazo[4,5-f]quinoline?
The canonical SMILES for 7-[8-chloro-2-[2-(8-chloroimidazo[1,2-a]pyridin-2-yl)cyclobutyl]imidazo[1,2-a]pyridin-7-yl]-3-methyl-2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)cyclobutyl]imidazo[4,5-f]quinoline is Cn1c(C2CCC2c2nc3c4ccc(-c5ccn6cc(C7CCC7c7cn8cccc(Cl)c8n7)nc6c5Cl)nc4ccc3n2C)nc2c3cccnc3ccc21.
What is the InChIKey of 7-[8-chloro-2-[2-(8-chloroimidazo[1,2-a]pyridin-2-yl)cyclobutyl]imidazo[1,2-a]pyridin-7-yl]-3-methyl-2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)cyclobutyl]imidazo[4,5-f]quinoline?
The InChIKey is UCIXQYADUYASPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34Cl2N10/c1-53-36-15-13-31-28(5-3-18-47-31)39(36)51-41(53)25-9-10-26(25)42-52-40-29-11-12-32(48-33(29)14-16-37(40)54(42)2)27-17-20-56-22-35(50-44(56)38(27)46)24-8-7-23(24)34-21-55-19-4-6-30(45)43(55)49-34/h3-6,11-26H,7-10H2,1-2H3.
What are the key properties of 7-[8-chloro-2-[2-(8-chloroimidazo[1,2-a]pyridin-2-yl)cyclobutyl]imidazo[1,2-a]pyridin-7-yl]-3-methyl-2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)cyclobutyl]imidazo[4,5-f]quinoline?
7-[8-chloro-2-[2-(8-chloroimidazo[1,2-a]pyridin-2-yl)cyclobutyl]imidazo[1,2-a]pyridin-7-yl]-3-methyl-2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)cyclobutyl]imidazo[4,5-f]quinoline has a molecular weight of 773.73 g/mol, XLogP of 10.15, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[8-chloro-2-[2-(8-chloroimidazo[1,2-a]pyridin-2-yl)cyclobutyl]imidazo[1,2-a]pyridin-7-yl]-3-methyl-2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)cyclobutyl]imidazo[4,5-f]quinoline is sourced from PubChem (CID 123474278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).