[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanone

C24H23F3N4O2 — CID 161202899

IUPAC[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanone
SMILESCC1(C(=O)N2CCN(C(=O)c3ccc(-c4ccc5nc(C(F)(F)F)cn5c4)cc3)CC2)CC1
InChIInChI=1S/C24H23F3N4O2/c1-23(8-9-23)22(33)30-12-10-29(11-13-30)21(32)17-4-2-16(3-5-17)18-6-7-20-28-19(24(25,26)27)15-31(20)14-18/h2-7,14-15H,8-13H2,1H3
InChIKeyUVFHYBKMXMAXPW-UHFFFAOYSA-N
MW456.47 g/mol
LogP4.10
Rot. Bonds3

About [4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanone

[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanone (PubChem CID 161202899) has the molecular formula C24H23F3N4O2 and a molecular weight of 456.47 g/mol. Its IUPAC name is [4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanone.

Molecular Properties

Compound Name[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanone
PubChem CID161202899
Molecular FormulaC24H23F3N4O2
Molecular Weight456.47 g/mol
Exact Mass456.18
IUPAC Name[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanone
SMILESCC1(C(=O)N2CCN(C(=O)c3ccc(-c4ccc5nc(C(F)(F)F)cn5c4)cc3)CC2)CC1
InChIInChI=1S/C24H23F3N4O2/c1-23(8-9-23)22(33)30-12-10-29(11-13-30)21(32)17-4-2-16(3-5-17)18-6-7-20-28-19(24(25,26)27)15-31(20)14-18/h2-7,14-15H,8-13H2,1H3
InChIKeyUVFHYBKMXMAXPW-UHFFFAOYSA-N
XLogP4.10
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.47
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1,3-dimethylindazol-6-yl)phenyl]-[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]methanone
CID 159397655
[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-[4-[1-(oxetan-3-ylmethyl)indazol-6-yl]phenyl]methanone
CID 158682998
[4-[1-(cyclopropylmethyl)indazol-5-yl]phenyl]-[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]methanone
CID 162090850
2-cyclopropyl-1-[3-[4-[4-(1-methylcyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]ethanone
CID 161221422
(4,4-difluoropiperidin-1-yl)-(2-methylimidazo[1,2-a]pyridin-6-yl)methanone
CID 70734580
(4-furo[3,2-b]pyridin-5-ylphenyl)-[4-(1-methylcyclobutanecarbonyl)piperazin-1-yl]methanone
CID 160731330
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-[4-(1-methyltriazol-4-yl)phenyl]phenyl]methanone
CID 118621731
[4-[3-[2-(cyclopropylmethyl)prop-2-enyl]phenyl]phenyl]-[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]methanone
CID 157352591
4-(2-propan-2-ylimidazo[1,2-a]pyridin-6-yl)benzoic acid
CID 82063352
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 86275791
[4-(3-tert-butyl-5-methylphenyl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 159086261
(4-methylphenyl)-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]methanone
CID 134791614

Frequently Asked Questions

What is the IUPAC name of [4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanone?
The IUPAC name of [4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanone (CID 161202899) is [4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanone.
What is the SMILES notation for [4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanone?
The canonical SMILES for [4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanone is CC1(C(=O)N2CCN(C(=O)c3ccc(-c4ccc5nc(C(F)(F)F)cn5c4)cc3)CC2)CC1.
What is the InChIKey of [4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanone?
The InChIKey is UVFHYBKMXMAXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O2/c1-23(8-9-23)22(33)30-12-10-29(11-13-30)21(32)17-4-2-16(3-5-17)18-6-7-20-28-19(24(25,26)27)15-31(20)14-18/h2-7,14-15H,8-13H2,1H3.
What are the key properties of [4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanone?
[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanone has a molecular weight of 456.47 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanone is sourced from PubChem (CID 161202899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).