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

C28H24F3N5 — CID 56973555

IUPAC4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-7-(trifluoromethyl)quinoline
SMILESCN1CCN(c2ccc(-c3ccn4c(-c5ccnc6cc(C(F)(F)F)ccc56)cnc4c3)cc2)CC1
InChIInChI=1S/C28H24F3N5/c1-34-12-14-35(15-13-34)22-5-2-19(3-6-22)20-9-11-36-26(18-33-27(36)16-20)24-8-10-32-25-17-21(28(29,30)31)4-7-23(24)25/h2-11,16-18H,12-15H2,1H3
InChIKeyRMZKZXIMPBNFQR-UHFFFAOYSA-N
MW487.53 g/mol
LogP5.99
Rot. Bonds3

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

4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-7-(trifluoromethyl)quinoline (PubChem CID 56973555) has the molecular formula C28H24F3N5 and a molecular weight of 487.53 g/mol. Its IUPAC name is 4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-7-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-7-(trifluoromethyl)quinoline
PubChem CID56973555
Molecular FormulaC28H24F3N5
Molecular Weight487.53 g/mol
Exact Mass487.20
IUPAC Name4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-7-(trifluoromethyl)quinoline
SMILESCN1CCN(c2ccc(-c3ccn4c(-c5ccnc6cc(C(F)(F)F)ccc56)cnc4c3)cc2)CC1
InChIInChI=1S/C28H24F3N5/c1-34-12-14-35(15-13-34)22-5-2-19(3-6-22)20-9-11-36-26(18-33-27(36)16-20)24-8-10-32-25-17-21(28(29,30)31)4-7-23(24)25/h2-11,16-18H,12-15H2,1H3
InChIKeyRMZKZXIMPBNFQR-UHFFFAOYSA-N
XLogP5.99
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.53
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-7-(trifluoromethyl)quinoline?
The IUPAC name of 4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-7-(trifluoromethyl)quinoline (CID 56973555) is 4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-7-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-7-(trifluoromethyl)quinoline?
The canonical SMILES for 4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-7-(trifluoromethyl)quinoline is CN1CCN(c2ccc(-c3ccn4c(-c5ccnc6cc(C(F)(F)F)ccc56)cnc4c3)cc2)CC1.
What is the InChIKey of 4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-7-(trifluoromethyl)quinoline?
The InChIKey is RMZKZXIMPBNFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F3N5/c1-34-12-14-35(15-13-34)22-5-2-19(3-6-22)20-9-11-36-26(18-33-27(36)16-20)24-8-10-32-25-17-21(28(29,30)31)4-7-23(24)25/h2-11,16-18H,12-15H2,1H3.
What are the key properties of 4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-7-(trifluoromethyl)quinoline?
4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-7-(trifluoromethyl)quinoline has a molecular weight of 487.53 g/mol, XLogP of 5.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-7-(trifluoromethyl)quinoline is sourced from PubChem (CID 56973555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).