N-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide

C27H26F4N6O — CID 126710497

IUPACN-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccn2c(C(=O)NCc3ccc(N4CCN(c5ccc(C(F)(F)F)cn5)CC4)c(F)c3)c(C)nc2c1
InChIInChI=1S/C27H26F4N6O/c1-17-7-8-37-24(13-17)34-18(2)25(37)26(38)33-15-19-3-5-22(21(28)14-19)35-9-11-36(12-10-35)23-6-4-20(16-32-23)27(29,30)31/h3-8,13-14,16H,9-12,15H2,1-2H3,(H,33,38)
InChIKeyPEMMGDGBYYCHLL-UHFFFAOYSA-N
MW526.54 g/mol
LogP4.76
Rot. Bonds5

About N-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide

N-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 126710497) has the molecular formula C27H26F4N6O and a molecular weight of 526.54 g/mol. Its IUPAC name is N-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID126710497
Molecular FormulaC27H26F4N6O
Molecular Weight526.54 g/mol
Exact Mass526.21
IUPAC NameN-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccn2c(C(=O)NCc3ccc(N4CCN(c5ccc(C(F)(F)F)cn5)CC4)c(F)c3)c(C)nc2c1
InChIInChI=1S/C27H26F4N6O/c1-17-7-8-37-24(13-17)34-18(2)25(37)26(38)33-15-19-3-5-22(21(28)14-19)35-9-11-36(12-10-35)23-6-4-20(16-32-23)27(29,30)31/h3-8,13-14,16H,9-12,15H2,1-2H3,(H,33,38)
InChIKeyPEMMGDGBYYCHLL-UHFFFAOYSA-N
XLogP4.76
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.54
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide (CID 126710497) is N-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide is Cc1ccn2c(C(=O)NCc3ccc(N4CCN(c5ccc(C(F)(F)F)cn5)CC4)c(F)c3)c(C)nc2c1.
What is the InChIKey of N-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is PEMMGDGBYYCHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F4N6O/c1-17-7-8-37-24(13-17)34-18(2)25(37)26(38)33-15-19-3-5-22(21(28)14-19)35-9-11-36(12-10-35)23-6-4-20(16-32-23)27(29,30)31/h3-8,13-14,16H,9-12,15H2,1-2H3,(H,33,38).
What are the key properties of N-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
N-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 526.54 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 126710497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).