6,8-difluoro-2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline

C28H25F2N5 — CID 162671251

IUPAC6,8-difluoro-2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline
SMILESCc1cc(-c2cnc3cc(-c4ccc(N5CCN(C)CC5)cc4)ccn23)c2cc(F)cc(F)c2n1
InChIInChI=1S/C28H25F2N5/c1-18-13-23(24-15-21(29)16-25(30)28(24)32-18)26-17-31-27-14-20(7-8-35(26)27)19-3-5-22(6-4-19)34-11-9-33(2)10-12-34/h3-8,13-17H,9-12H2,1-2H3
InChIKeyWQVJTIOOSYJKPS-UHFFFAOYSA-N
MW469.54 g/mol
LogP5.55
Rot. Bonds3

About 6,8-difluoro-2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline

6,8-difluoro-2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline (PubChem CID 162671251) has the molecular formula C28H25F2N5 and a molecular weight of 469.54 g/mol. Its IUPAC name is 6,8-difluoro-2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline.

Molecular Properties

Compound Name6,8-difluoro-2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline
PubChem CID162671251
Molecular FormulaC28H25F2N5
Molecular Weight469.54 g/mol
Exact Mass469.21
IUPAC Name6,8-difluoro-2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline
SMILESCc1cc(-c2cnc3cc(-c4ccc(N5CCN(C)CC5)cc4)ccn23)c2cc(F)cc(F)c2n1
InChIInChI=1S/C28H25F2N5/c1-18-13-23(24-15-21(29)16-25(30)28(24)32-18)26-17-31-27-14-20(7-8-35(26)27)19-3-5-22(6-4-19)34-11-9-33(2)10-12-34/h3-8,13-17H,9-12H2,1-2H3
InChIKeyWQVJTIOOSYJKPS-UHFFFAOYSA-N
XLogP5.55
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.54
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline?
The IUPAC name of 6,8-difluoro-2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline (CID 162671251) is 6,8-difluoro-2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline.
What is the SMILES notation for 6,8-difluoro-2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline?
The canonical SMILES for 6,8-difluoro-2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline is Cc1cc(-c2cnc3cc(-c4ccc(N5CCN(C)CC5)cc4)ccn23)c2cc(F)cc(F)c2n1.
What is the InChIKey of 6,8-difluoro-2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline?
The InChIKey is WQVJTIOOSYJKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F2N5/c1-18-13-23(24-15-21(29)16-25(30)28(24)32-18)26-17-31-27-14-20(7-8-35(26)27)19-3-5-22(6-4-19)34-11-9-33(2)10-12-34/h3-8,13-17H,9-12H2,1-2H3.
What are the key properties of 6,8-difluoro-2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline?
6,8-difluoro-2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline has a molecular weight of 469.54 g/mol, XLogP of 5.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline is sourced from PubChem (CID 162671251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).