N-methyl-7-(4-phenylpiperidin-1-yl)-3-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyridin-8-amine

C23H27F3N4 — CID 130239084

IUPACN-methyl-7-(4-phenylpiperidin-1-yl)-3-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyridin-8-amine
SMILESCNc1c(N2CCC(c3ccccc3)CC2)ccn2c(CCCC(F)(F)F)cnc12
InChIInChI=1S/C23H27F3N4/c1-27-21-20(29-13-9-18(10-14-29)17-6-3-2-4-7-17)11-15-30-19(16-28-22(21)30)8-5-12-23(24,25)26/h2-4,6-7,11,15-16,18,27H,5,8-10,12-14H2,1H3
InChIKeySWIGBYHKTHRBKW-UHFFFAOYSA-N
MW416.49 g/mol
LogP5.64
Rot. Bonds6

About N-methyl-7-(4-phenylpiperidin-1-yl)-3-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyridin-8-amine

N-methyl-7-(4-phenylpiperidin-1-yl)-3-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyridin-8-amine (PubChem CID 130239084) has the molecular formula C23H27F3N4 and a molecular weight of 416.49 g/mol. Its IUPAC name is N-methyl-7-(4-phenylpiperidin-1-yl)-3-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyridin-8-amine.

Molecular Properties

Compound NameN-methyl-7-(4-phenylpiperidin-1-yl)-3-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyridin-8-amine
PubChem CID130239084
Molecular FormulaC23H27F3N4
Molecular Weight416.49 g/mol
Exact Mass416.22
IUPAC NameN-methyl-7-(4-phenylpiperidin-1-yl)-3-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyridin-8-amine
SMILESCNc1c(N2CCC(c3ccccc3)CC2)ccn2c(CCCC(F)(F)F)cnc12
InChIInChI=1S/C23H27F3N4/c1-27-21-20(29-13-9-18(10-14-29)17-6-3-2-4-7-17)11-15-30-19(16-28-22(21)30)8-5-12-23(24,25)26/h2-4,6-7,11,15-16,18,27H,5,8-10,12-14H2,1H3
InChIKeySWIGBYHKTHRBKW-UHFFFAOYSA-N
XLogP5.64
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.49
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile
CID 57459476
3-methyl-6-(4-phenylpiperidin-1-yl)pyrrolo[1,2-a]quinoxaline
CID 67627091
7-(4-fluoro-4-phenylpiperidin-1-yl)-8-methyl-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine
CID 130238953
3-(cyclopropylmethyl)-7-(4-phenylpiperidin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 72703397
7-[4-(3-fluoro-2-methoxyphenyl)piperidin-1-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile
CID 66843851
3-butyl-7-[(4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 57459579
3-chloro-4-(4-phenylpiperidin-1-yl)-1-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]pyridin-2-one
CID 162425978
8-chloro-3-(ethoxymethyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 57459491
3-methyl-4-(4-phenylpiperidin-1-yl)pyridine
CID 137318862
N-methyl-1-[5-(3-phenylpyrrolidin-1-yl)pyrazin-2-yl]methanamine
CID 107378764
3-phenyl-N-(4,4,4-trifluorobutyl)cyclobutan-1-amine
CID 115516339
3-(cyclopropylmethyl)-7-(4-pyridin-3-ylpiperidin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 57459542

Frequently Asked Questions

What is the IUPAC name of N-methyl-7-(4-phenylpiperidin-1-yl)-3-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyridin-8-amine?
The IUPAC name of N-methyl-7-(4-phenylpiperidin-1-yl)-3-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyridin-8-amine (CID 130239084) is N-methyl-7-(4-phenylpiperidin-1-yl)-3-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyridin-8-amine.
What is the SMILES notation for N-methyl-7-(4-phenylpiperidin-1-yl)-3-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyridin-8-amine?
The canonical SMILES for N-methyl-7-(4-phenylpiperidin-1-yl)-3-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyridin-8-amine is CNc1c(N2CCC(c3ccccc3)CC2)ccn2c(CCCC(F)(F)F)cnc12.
What is the InChIKey of N-methyl-7-(4-phenylpiperidin-1-yl)-3-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyridin-8-amine?
The InChIKey is SWIGBYHKTHRBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N4/c1-27-21-20(29-13-9-18(10-14-29)17-6-3-2-4-7-17)11-15-30-19(16-28-22(21)30)8-5-12-23(24,25)26/h2-4,6-7,11,15-16,18,27H,5,8-10,12-14H2,1H3.
What are the key properties of N-methyl-7-(4-phenylpiperidin-1-yl)-3-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyridin-8-amine?
N-methyl-7-(4-phenylpiperidin-1-yl)-3-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyridin-8-amine has a molecular weight of 416.49 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-7-(4-phenylpiperidin-1-yl)-3-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyridin-8-amine is sourced from PubChem (CID 130239084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).