3-methyl-2-[2,3,4,5,6-pentakis(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-c]pyridine

C48H36N18 — CID 59194302

IUPAC3-methyl-2-[2,3,4,5,6-pentakis(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-c]pyridine
SMILESCn1c(-c2c(-c3nc4cccnc4n3C)c(-c3nc4cccnc4n3C)c(-c3nc4cccnc4n3C)c(-c3nc4cccnc4n3C)c2-c2nc3cccnc3n2C)nc2ccncc21
InChIInChI=1S/C48H36N18/c1-61-31-24-49-23-17-25(31)55-43(61)32-33(44-56-26-12-7-18-50-38(26)62(44)2)35(46-58-28-14-9-20-52-40(28)64(46)4)37(48-60-30-16-11-22-54-42(30)66(48)6)36(47-59-29-15-10-21-53-41(29)65(47)5)34(32)45-57-27-13-8-19-51-39(27)63(45)3/h7-24H,1-6H3
InChIKeyFKOIVJLIJFYBOM-UHFFFAOYSA-N
MW864.94 g/mol
LogP7.38
Rot. Bonds6

About 3-methyl-2-[2,3,4,5,6-pentakis(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-c]pyridine

3-methyl-2-[2,3,4,5,6-pentakis(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-c]pyridine (PubChem CID 59194302) has the molecular formula C48H36N18 and a molecular weight of 864.94 g/mol. Its IUPAC name is 3-methyl-2-[2,3,4,5,6-pentakis(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name3-methyl-2-[2,3,4,5,6-pentakis(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-c]pyridine
PubChem CID59194302
Molecular FormulaC48H36N18
Molecular Weight864.94 g/mol
Exact Mass864.34
IUPAC Name3-methyl-2-[2,3,4,5,6-pentakis(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-c]pyridine
SMILESCn1c(-c2c(-c3nc4cccnc4n3C)c(-c3nc4cccnc4n3C)c(-c3nc4cccnc4n3C)c(-c3nc4cccnc4n3C)c2-c2nc3cccnc3n2C)nc2ccncc21
InChIInChI=1S/C48H36N18/c1-61-31-24-49-23-17-25(31)55-43(61)32-33(44-56-26-12-7-18-50-38(26)62(44)2)35(46-58-28-14-9-20-52-40(28)64(46)4)37(48-60-30-16-11-22-54-42(30)66(48)6)36(47-59-29-15-10-21-53-41(29)65(47)5)34(32)45-57-27-13-8-19-51-39(27)63(45)3/h7-24H,1-6H3
InChIKeyFKOIVJLIJFYBOM-UHFFFAOYSA-N
XLogP7.38
TPSA184.26 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500864.94
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[2,3,4,5,6-pentakis(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-c]pyridine?
The IUPAC name of 3-methyl-2-[2,3,4,5,6-pentakis(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-c]pyridine (CID 59194302) is 3-methyl-2-[2,3,4,5,6-pentakis(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 3-methyl-2-[2,3,4,5,6-pentakis(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-c]pyridine?
The canonical SMILES for 3-methyl-2-[2,3,4,5,6-pentakis(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-c]pyridine is Cn1c(-c2c(-c3nc4cccnc4n3C)c(-c3nc4cccnc4n3C)c(-c3nc4cccnc4n3C)c(-c3nc4cccnc4n3C)c2-c2nc3cccnc3n2C)nc2ccncc21.
What is the InChIKey of 3-methyl-2-[2,3,4,5,6-pentakis(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-c]pyridine?
The InChIKey is FKOIVJLIJFYBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36N18/c1-61-31-24-49-23-17-25(31)55-43(61)32-33(44-56-26-12-7-18-50-38(26)62(44)2)35(46-58-28-14-9-20-52-40(28)64(46)4)37(48-60-30-16-11-22-54-42(30)66(48)6)36(47-59-29-15-10-21-53-41(29)65(47)5)34(32)45-57-27-13-8-19-51-39(27)63(45)3/h7-24H,1-6H3.
What are the key properties of 3-methyl-2-[2,3,4,5,6-pentakis(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-c]pyridine?
3-methyl-2-[2,3,4,5,6-pentakis(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-c]pyridine has a molecular weight of 864.94 g/mol, XLogP of 7.38, 6 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[2,3,4,5,6-pentakis(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 59194302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).