8-[(2,6-difluorophenyl)methoxy]-2-methyl-3-[3-(piperidin-1-ylmethyl)phenyl]imidazo[1,2-a]pyridine

C27H27F2N3O — CID 121308801

IUPAC8-[(2,6-difluorophenyl)methoxy]-2-methyl-3-[3-(piperidin-1-ylmethyl)phenyl]imidazo[1,2-a]pyridine
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1-c1cccc(CN2CCCCC2)c1
InChIInChI=1S/C27H27F2N3O/c1-19-26(21-9-5-8-20(16-21)17-31-13-3-2-4-14-31)32-15-7-12-25(27(32)30-19)33-18-22-23(28)10-6-11-24(22)29/h5-12,15-16H,2-4,13-14,17-18H2,1H3
InChIKeyNRIYVSISLZLKEP-UHFFFAOYSA-N
MW447.53 g/mol
LogP6.15
Rot. Bonds6

About 8-[(2,6-difluorophenyl)methoxy]-2-methyl-3-[3-(piperidin-1-ylmethyl)phenyl]imidazo[1,2-a]pyridine

8-[(2,6-difluorophenyl)methoxy]-2-methyl-3-[3-(piperidin-1-ylmethyl)phenyl]imidazo[1,2-a]pyridine (PubChem CID 121308801) has the molecular formula C27H27F2N3O and a molecular weight of 447.53 g/mol. Its IUPAC name is 8-[(2,6-difluorophenyl)methoxy]-2-methyl-3-[3-(piperidin-1-ylmethyl)phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name8-[(2,6-difluorophenyl)methoxy]-2-methyl-3-[3-(piperidin-1-ylmethyl)phenyl]imidazo[1,2-a]pyridine
PubChem CID121308801
Molecular FormulaC27H27F2N3O
Molecular Weight447.53 g/mol
Exact Mass447.21
IUPAC Name8-[(2,6-difluorophenyl)methoxy]-2-methyl-3-[3-(piperidin-1-ylmethyl)phenyl]imidazo[1,2-a]pyridine
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1-c1cccc(CN2CCCCC2)c1
InChIInChI=1S/C27H27F2N3O/c1-19-26(21-9-5-8-20(16-21)17-31-13-3-2-4-14-31)32-15-7-12-25(27(32)30-19)33-18-22-23(28)10-6-11-24(22)29/h5-12,15-16H,2-4,13-14,17-18H2,1H3
InChIKeyNRIYVSISLZLKEP-UHFFFAOYSA-N
XLogP6.15
TPSA29.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.53
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-2-methyl-3-[3-(piperidin-1-ylmethyl)phenyl]imidazo[1,2-a]pyridine?
The IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-2-methyl-3-[3-(piperidin-1-ylmethyl)phenyl]imidazo[1,2-a]pyridine (CID 121308801) is 8-[(2,6-difluorophenyl)methoxy]-2-methyl-3-[3-(piperidin-1-ylmethyl)phenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 8-[(2,6-difluorophenyl)methoxy]-2-methyl-3-[3-(piperidin-1-ylmethyl)phenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 8-[(2,6-difluorophenyl)methoxy]-2-methyl-3-[3-(piperidin-1-ylmethyl)phenyl]imidazo[1,2-a]pyridine is Cc1nc2c(OCc3c(F)cccc3F)cccn2c1-c1cccc(CN2CCCCC2)c1.
What is the InChIKey of 8-[(2,6-difluorophenyl)methoxy]-2-methyl-3-[3-(piperidin-1-ylmethyl)phenyl]imidazo[1,2-a]pyridine?
The InChIKey is NRIYVSISLZLKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F2N3O/c1-19-26(21-9-5-8-20(16-21)17-31-13-3-2-4-14-31)32-15-7-12-25(27(32)30-19)33-18-22-23(28)10-6-11-24(22)29/h5-12,15-16H,2-4,13-14,17-18H2,1H3.
What are the key properties of 8-[(2,6-difluorophenyl)methoxy]-2-methyl-3-[3-(piperidin-1-ylmethyl)phenyl]imidazo[1,2-a]pyridine?
8-[(2,6-difluorophenyl)methoxy]-2-methyl-3-[3-(piperidin-1-ylmethyl)phenyl]imidazo[1,2-a]pyridine has a molecular weight of 447.53 g/mol, XLogP of 6.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,6-difluorophenyl)methoxy]-2-methyl-3-[3-(piperidin-1-ylmethyl)phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 121308801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).