cyclopentyl-[4-[[2-(3-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone

C32H33F3N4O2 — CID 83274681

IUPACcyclopentyl-[4-[[2-(3-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
SMILESCOc1cccc(-c2nc3ccc(-c4cccc(C(F)(F)F)c4)cn3c2CN2CCN(C(=O)C3CCCC3)CC2)c1
InChIInChI=1S/C32H33F3N4O2/c1-41-27-11-5-9-24(19-27)30-28(21-37-14-16-38(17-15-37)31(40)22-6-2-3-7-22)39-20-25(12-13-29(39)36-30)23-8-4-10-26(18-23)32(33,34)35/h4-5,8-13,18-20,22H,2-3,6-7,14-17,21H2,1H3
InChIKeyFGUXWNCRBDTWCM-UHFFFAOYSA-N
MW562.64 g/mol
LogP6.53
Rot. Bonds6

About cyclopentyl-[4-[[2-(3-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone

cyclopentyl-[4-[[2-(3-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone (PubChem CID 83274681) has the molecular formula C32H33F3N4O2 and a molecular weight of 562.64 g/mol. Its IUPAC name is cyclopentyl-[4-[[2-(3-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-[[2-(3-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
PubChem CID83274681
Molecular FormulaC32H33F3N4O2
Molecular Weight562.64 g/mol
Exact Mass562.26
IUPAC Namecyclopentyl-[4-[[2-(3-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
SMILESCOc1cccc(-c2nc3ccc(-c4cccc(C(F)(F)F)c4)cn3c2CN2CCN(C(=O)C3CCCC3)CC2)c1
InChIInChI=1S/C32H33F3N4O2/c1-41-27-11-5-9-24(19-27)30-28(21-37-14-16-38(17-15-37)31(40)22-6-2-3-7-22)39-20-25(12-13-29(39)36-30)23-8-4-10-26(18-23)32(33,34)35/h4-5,8-13,18-20,22H,2-3,6-7,14-17,21H2,1H3
InChIKeyFGUXWNCRBDTWCM-UHFFFAOYSA-N
XLogP6.53
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.64
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-[[2-(3-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-[[2-(3-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone (CID 83274681) is cyclopentyl-[4-[[2-(3-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-[[2-(3-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-[[2-(3-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone is COc1cccc(-c2nc3ccc(-c4cccc(C(F)(F)F)c4)cn3c2CN2CCN(C(=O)C3CCCC3)CC2)c1.
What is the InChIKey of cyclopentyl-[4-[[2-(3-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is FGUXWNCRBDTWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33F3N4O2/c1-41-27-11-5-9-24(19-27)30-28(21-37-14-16-38(17-15-37)31(40)22-6-2-3-7-22)39-20-25(12-13-29(39)36-30)23-8-4-10-26(18-23)32(33,34)35/h4-5,8-13,18-20,22H,2-3,6-7,14-17,21H2,1H3.
What are the key properties of cyclopentyl-[4-[[2-(3-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone?
cyclopentyl-[4-[[2-(3-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 562.64 g/mol, XLogP of 6.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-[[2-(3-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 83274681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).