N-[[3-fluoro-4-[1-[3-(trifluoromethoxy)phenyl]piperidin-4-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide

C29H28F4N4O2 — CID 163201918

IUPACN-[[3-fluoro-4-[1-[3-(trifluoromethoxy)phenyl]piperidin-4-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccn2c(C(=O)NCc3ccc(C4CCN(c5cccc(OC(F)(F)F)c5)CC4)c(F)c3)c(C)nc2c1
InChIInChI=1S/C29H28F4N4O2/c1-18-8-13-37-26(14-18)35-19(2)27(37)28(38)34-17-20-6-7-24(25(30)15-20)21-9-11-36(12-10-21)22-4-3-5-23(16-22)39-29(31,32)33/h3-8,13-16,21H,9-12,17H2,1-2H3,(H,34,38)
InChIKeyFEQXNSQSFQVEJP-UHFFFAOYSA-N
MW540.56 g/mol
LogP6.30
Rot. Bonds6

About N-[[3-fluoro-4-[1-[3-(trifluoromethoxy)phenyl]piperidin-4-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide

N-[[3-fluoro-4-[1-[3-(trifluoromethoxy)phenyl]piperidin-4-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 163201918) has the molecular formula C29H28F4N4O2 and a molecular weight of 540.56 g/mol. Its IUPAC name is N-[[3-fluoro-4-[1-[3-(trifluoromethoxy)phenyl]piperidin-4-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-fluoro-4-[1-[3-(trifluoromethoxy)phenyl]piperidin-4-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID163201918
Molecular FormulaC29H28F4N4O2
Molecular Weight540.56 g/mol
Exact Mass540.21
IUPAC NameN-[[3-fluoro-4-[1-[3-(trifluoromethoxy)phenyl]piperidin-4-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccn2c(C(=O)NCc3ccc(C4CCN(c5cccc(OC(F)(F)F)c5)CC4)c(F)c3)c(C)nc2c1
InChIInChI=1S/C29H28F4N4O2/c1-18-8-13-37-26(14-18)35-19(2)27(37)28(38)34-17-20-6-7-24(25(30)15-20)21-9-11-36(12-10-21)22-4-3-5-23(16-22)39-29(31,32)33/h3-8,13-16,21H,9-12,17H2,1-2H3,(H,34,38)
InChIKeyFEQXNSQSFQVEJP-UHFFFAOYSA-N
XLogP6.30
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.56
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-[1-[3-(trifluoromethoxy)phenyl]piperidin-4-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[[3-fluoro-4-[1-[3-(trifluoromethoxy)phenyl]piperidin-4-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide (CID 163201918) is N-[[3-fluoro-4-[1-[3-(trifluoromethoxy)phenyl]piperidin-4-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[[3-fluoro-4-[1-[3-(trifluoromethoxy)phenyl]piperidin-4-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[[3-fluoro-4-[1-[3-(trifluoromethoxy)phenyl]piperidin-4-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide is Cc1ccn2c(C(=O)NCc3ccc(C4CCN(c5cccc(OC(F)(F)F)c5)CC4)c(F)c3)c(C)nc2c1.
What is the InChIKey of N-[[3-fluoro-4-[1-[3-(trifluoromethoxy)phenyl]piperidin-4-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is FEQXNSQSFQVEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28F4N4O2/c1-18-8-13-37-26(14-18)35-19(2)27(37)28(38)34-17-20-6-7-24(25(30)15-20)21-9-11-36(12-10-21)22-4-3-5-23(16-22)39-29(31,32)33/h3-8,13-16,21H,9-12,17H2,1-2H3,(H,34,38).
What are the key properties of N-[[3-fluoro-4-[1-[3-(trifluoromethoxy)phenyl]piperidin-4-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
N-[[3-fluoro-4-[1-[3-(trifluoromethoxy)phenyl]piperidin-4-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 540.56 g/mol, XLogP of 6.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-[1-[3-(trifluoromethoxy)phenyl]piperidin-4-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 163201918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).