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

C29H26F3N5 — CID 139326716

IUPAC2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-6-(trifluoromethyl)quinoline
SMILESCc1cc(-c2cnc3cc(-c4ccc(N5CCN(C)CC5)cc4)ccn23)c2cc(C(F)(F)F)ccc2n1
InChIInChI=1S/C29H26F3N5/c1-19-15-25(24-17-22(29(30,31)32)5-8-26(24)34-19)27-18-33-28-16-21(9-10-37(27)28)20-3-6-23(7-4-20)36-13-11-35(2)12-14-36/h3-10,15-18H,11-14H2,1-2H3
InChIKeyMHTUHRWYCMKVLH-UHFFFAOYSA-N
MW501.56 g/mol
LogP6.30
Rot. Bonds3

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

2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-6-(trifluoromethyl)quinoline (PubChem CID 139326716) has the molecular formula C29H26F3N5 and a molecular weight of 501.56 g/mol. Its IUPAC name is 2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-6-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-6-(trifluoromethyl)quinoline
PubChem CID139326716
Molecular FormulaC29H26F3N5
Molecular Weight501.56 g/mol
Exact Mass501.21
IUPAC Name2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-6-(trifluoromethyl)quinoline
SMILESCc1cc(-c2cnc3cc(-c4ccc(N5CCN(C)CC5)cc4)ccn23)c2cc(C(F)(F)F)ccc2n1
InChIInChI=1S/C29H26F3N5/c1-19-15-25(24-17-22(29(30,31)32)5-8-26(24)34-19)27-18-33-28-16-21(9-10-37(27)28)20-3-6-23(7-4-20)36-13-11-35(2)12-14-36/h3-10,15-18H,11-14H2,1-2H3
InChIKeyMHTUHRWYCMKVLH-UHFFFAOYSA-N
XLogP6.30
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.56
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-6-(trifluoromethyl)quinoline?
The IUPAC name of 2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-6-(trifluoromethyl)quinoline (CID 139326716) is 2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-6-(trifluoromethyl)quinoline.
What is the SMILES notation for 2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-6-(trifluoromethyl)quinoline?
The canonical SMILES for 2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-6-(trifluoromethyl)quinoline is Cc1cc(-c2cnc3cc(-c4ccc(N5CCN(C)CC5)cc4)ccn23)c2cc(C(F)(F)F)ccc2n1.
What is the InChIKey of 2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-6-(trifluoromethyl)quinoline?
The InChIKey is MHTUHRWYCMKVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F3N5/c1-19-15-25(24-17-22(29(30,31)32)5-8-26(24)34-19)27-18-33-28-16-21(9-10-37(27)28)20-3-6-23(7-4-20)36-13-11-35(2)12-14-36/h3-10,15-18H,11-14H2,1-2H3.
What are the key properties of 2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-6-(trifluoromethyl)quinoline?
2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-6-(trifluoromethyl)quinoline has a molecular weight of 501.56 g/mol, XLogP of 6.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-6-(trifluoromethyl)quinoline is sourced from PubChem (CID 139326716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).