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

C35H29F3N4O2S — CID 83275122

IUPAC[4-[[6-(1-benzothiophen-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCOc1ccc(-c2nc3ccc(-c4cc5ccccc5s4)cn3c2CN2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C35H29F3N4O2S/c1-44-28-13-8-23(9-14-28)33-29(42-21-26(10-15-32(42)39-33)31-20-25-4-2-3-5-30(25)45-31)22-40-16-18-41(19-17-40)34(43)24-6-11-27(12-7-24)35(36,37)38/h2-15,20-21H,16-19,22H2,1H3
InChIKeyUZLAYNGACLPNBV-UHFFFAOYSA-N
MW626.70 g/mol
LogP7.87
Rot. Bonds6

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

[4-[[6-(1-benzothiophen-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 83275122) has the molecular formula C35H29F3N4O2S and a molecular weight of 626.70 g/mol. Its IUPAC name is [4-[[6-(1-benzothiophen-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-[[6-(1-benzothiophen-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID83275122
Molecular FormulaC35H29F3N4O2S
Molecular Weight626.70 g/mol
Exact Mass626.20
IUPAC Name[4-[[6-(1-benzothiophen-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCOc1ccc(-c2nc3ccc(-c4cc5ccccc5s4)cn3c2CN2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C35H29F3N4O2S/c1-44-28-13-8-23(9-14-28)33-29(42-21-26(10-15-32(42)39-33)31-20-25-4-2-3-5-30(25)45-31)22-40-16-18-41(19-17-40)34(43)24-6-11-27(12-7-24)35(36,37)38/h2-15,20-21H,16-19,22H2,1H3
InChIKeyUZLAYNGACLPNBV-UHFFFAOYSA-N
XLogP7.87
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.70
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of [4-[[6-(1-benzothiophen-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-[[6-(1-benzothiophen-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 83275122) is [4-[[6-(1-benzothiophen-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-[[6-(1-benzothiophen-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-[[6-(1-benzothiophen-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is COc1ccc(-c2nc3ccc(-c4cc5ccccc5s4)cn3c2CN2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1.
What is the InChIKey of [4-[[6-(1-benzothiophen-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is UZLAYNGACLPNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H29F3N4O2S/c1-44-28-13-8-23(9-14-28)33-29(42-21-26(10-15-32(42)39-33)31-20-25-4-2-3-5-30(25)45-31)22-40-16-18-41(19-17-40)34(43)24-6-11-27(12-7-24)35(36,37)38/h2-15,20-21H,16-19,22H2,1H3.
What are the key properties of [4-[[6-(1-benzothiophen-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
[4-[[6-(1-benzothiophen-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 626.70 g/mol, XLogP of 7.87, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[6-(1-benzothiophen-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 83275122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).