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

C30H27F3N4 — CID 139326712

IUPAC2-methyl-4-[7-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-6-(trifluoromethyl)quinoline
SMILESCc1cc(-c2cnc3cc(-c4ccc(C5CCN(C)CC5)cc4)ccn23)c2cc(C(F)(F)F)ccc2n1
InChIInChI=1S/C30H27F3N4/c1-19-15-26(25-17-24(30(31,32)33)7-8-27(25)35-19)28-18-34-29-16-23(11-14-37(28)29)21-5-3-20(4-6-21)22-9-12-36(2)13-10-22/h3-8,11,14-18,22H,9-10,12-13H2,1-2H3
InChIKeyYNVRIZJDRPYOCD-UHFFFAOYSA-N
MW500.57 g/mol
LogP7.35
Rot. Bonds3

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

2-methyl-4-[7-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-6-(trifluoromethyl)quinoline (PubChem CID 139326712) has the molecular formula C30H27F3N4 and a molecular weight of 500.57 g/mol. Its IUPAC name is 2-methyl-4-[7-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-6-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name2-methyl-4-[7-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-6-(trifluoromethyl)quinoline
PubChem CID139326712
Molecular FormulaC30H27F3N4
Molecular Weight500.57 g/mol
Exact Mass500.22
IUPAC Name2-methyl-4-[7-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-6-(trifluoromethyl)quinoline
SMILESCc1cc(-c2cnc3cc(-c4ccc(C5CCN(C)CC5)cc4)ccn23)c2cc(C(F)(F)F)ccc2n1
InChIInChI=1S/C30H27F3N4/c1-19-15-26(25-17-24(30(31,32)33)7-8-27(25)35-19)28-18-34-29-16-23(11-14-37(28)29)21-5-3-20(4-6-21)22-9-12-36(2)13-10-22/h3-8,11,14-18,22H,9-10,12-13H2,1-2H3
InChIKeyYNVRIZJDRPYOCD-UHFFFAOYSA-N
XLogP7.35
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.57
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[7-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-6-(trifluoromethyl)quinoline?
The IUPAC name of 2-methyl-4-[7-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-6-(trifluoromethyl)quinoline (CID 139326712) is 2-methyl-4-[7-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-6-(trifluoromethyl)quinoline.
What is the SMILES notation for 2-methyl-4-[7-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-6-(trifluoromethyl)quinoline?
The canonical SMILES for 2-methyl-4-[7-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-6-(trifluoromethyl)quinoline is Cc1cc(-c2cnc3cc(-c4ccc(C5CCN(C)CC5)cc4)ccn23)c2cc(C(F)(F)F)ccc2n1.
What is the InChIKey of 2-methyl-4-[7-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-6-(trifluoromethyl)quinoline?
The InChIKey is YNVRIZJDRPYOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27F3N4/c1-19-15-26(25-17-24(30(31,32)33)7-8-27(25)35-19)28-18-34-29-16-23(11-14-37(28)29)21-5-3-20(4-6-21)22-9-12-36(2)13-10-22/h3-8,11,14-18,22H,9-10,12-13H2,1-2H3.
What are the key properties of 2-methyl-4-[7-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-6-(trifluoromethyl)quinoline?
2-methyl-4-[7-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-6-(trifluoromethyl)quinoline has a molecular weight of 500.57 g/mol, XLogP of 7.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[7-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-6-(trifluoromethyl)quinoline is sourced from PubChem (CID 139326712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).