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

C31H30F2N4 — CID 142306286

IUPAC6-(1,1-difluoroethyl)-2-methyl-4-[7-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline
SMILESCc1cc(-c2cnc3cc(-c4ccc(C5CCN(C)CC5)cc4)ccn23)c2cc(C(C)(F)F)ccc2n1
InChIInChI=1S/C31H30F2N4/c1-20-16-27(26-18-25(31(2,32)33)8-9-28(26)35-20)29-19-34-30-17-24(12-15-37(29)30)22-6-4-21(5-7-22)23-10-13-36(3)14-11-23/h4-9,12,15-19,23H,10-11,13-14H2,1-3H3
InChIKeyCNHBWALQMWJJIB-UHFFFAOYSA-N
MW496.61 g/mol
LogP7.45
Rot. Bonds4

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

6-(1,1-difluoroethyl)-2-methyl-4-[7-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline (PubChem CID 142306286) has the molecular formula C31H30F2N4 and a molecular weight of 496.61 g/mol. Its IUPAC name is 6-(1,1-difluoroethyl)-2-methyl-4-[7-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline.

Molecular Properties

Compound Name6-(1,1-difluoroethyl)-2-methyl-4-[7-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline
PubChem CID142306286
Molecular FormulaC31H30F2N4
Molecular Weight496.61 g/mol
Exact Mass496.24
IUPAC Name6-(1,1-difluoroethyl)-2-methyl-4-[7-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline
SMILESCc1cc(-c2cnc3cc(-c4ccc(C5CCN(C)CC5)cc4)ccn23)c2cc(C(C)(F)F)ccc2n1
InChIInChI=1S/C31H30F2N4/c1-20-16-27(26-18-25(31(2,32)33)8-9-28(26)35-20)29-19-34-30-17-24(12-15-37(29)30)22-6-4-21(5-7-22)23-10-13-36(3)14-11-23/h4-9,12,15-19,23H,10-11,13-14H2,1-3H3
InChIKeyCNHBWALQMWJJIB-UHFFFAOYSA-N
XLogP7.45
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.61
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Miransertib
CID 53262401
(alphaS)-7-Fluoro-alpha-methyl-N-9H-purin-6-yl-2-(2-pyridinyl)-3-quinolinemethanamine
CID 68947304
CGS 12066B-parent
CID 2689
Panulisib
CID 56947515
Bag-956
CID 24882589
N2-methyl-N4-(pyrimidin-2-ylmethyl)-5-(quinolin-6-yl)-7H-pyrrolo(2,3-d)pyrimidine-2,4-diamine
CID 133082038
6-[3-(2,2-Difluoroethyl)-5-(6-methylpyridin-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine
CID 135233366
6-[Difluoro-[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline
CID 127045762
12-methyl-N-[2-(piperidin-1-yl)ethyl]-11,14,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-1,3,5,7,9,12,14,16-octaen-16-amine
CID 10109125
3-[cis-3-(4-Methylpiperazin-1-yl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 16214946
Urmc-099
CID 54764565
4-[6-[4-(4-Methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 60182364

Frequently Asked Questions

What is the IUPAC name of 6-(1,1-difluoroethyl)-2-methyl-4-[7-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline?
The IUPAC name of 6-(1,1-difluoroethyl)-2-methyl-4-[7-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline (CID 142306286) is 6-(1,1-difluoroethyl)-2-methyl-4-[7-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline.
What is the SMILES notation for 6-(1,1-difluoroethyl)-2-methyl-4-[7-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline?
The canonical SMILES for 6-(1,1-difluoroethyl)-2-methyl-4-[7-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline is Cc1cc(-c2cnc3cc(-c4ccc(C5CCN(C)CC5)cc4)ccn23)c2cc(C(C)(F)F)ccc2n1.
What is the InChIKey of 6-(1,1-difluoroethyl)-2-methyl-4-[7-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline?
The InChIKey is CNHBWALQMWJJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30F2N4/c1-20-16-27(26-18-25(31(2,32)33)8-9-28(26)35-20)29-19-34-30-17-24(12-15-37(29)30)22-6-4-21(5-7-22)23-10-13-36(3)14-11-23/h4-9,12,15-19,23H,10-11,13-14H2,1-3H3.
What are the key properties of 6-(1,1-difluoroethyl)-2-methyl-4-[7-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline?
6-(1,1-difluoroethyl)-2-methyl-4-[7-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline has a molecular weight of 496.61 g/mol, XLogP of 7.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-difluoroethyl)-2-methyl-4-[7-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline is sourced from PubChem (CID 142306286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).