(4-methylpiperazin-1-yl)-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone

C17H16F3N5O2 — CID 118378860

IUPAC(4-methylpiperazin-1-yl)-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone
SMILESCN1CCN(C(=O)c2cnc3c(-c4cnco4)cc(C(F)(F)F)cn23)CC1
InChIInChI=1S/C17H16F3N5O2/c1-23-2-4-24(5-3-23)16(26)13-7-22-15-12(14-8-21-10-27-14)6-11(9-25(13)15)17(18,19)20/h6-10H,2-5H2,1H3
InChIKeyNZJTXIUZQNHZCX-UHFFFAOYSA-N
MW379.34 g/mol
LogP2.40
Rot. Bonds2

About (4-methylpiperazin-1-yl)-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone

(4-methylpiperazin-1-yl)-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone (PubChem CID 118378860) has the molecular formula C17H16F3N5O2 and a molecular weight of 379.34 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone
PubChem CID118378860
Molecular FormulaC17H16F3N5O2
Molecular Weight379.34 g/mol
Exact Mass379.13
IUPAC Name(4-methylpiperazin-1-yl)-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone
SMILESCN1CCN(C(=O)c2cnc3c(-c4cnco4)cc(C(F)(F)F)cn23)CC1
InChIInChI=1S/C17H16F3N5O2/c1-23-2-4-24(5-3-23)16(26)13-7-22-15-12(14-8-21-10-27-14)6-11(9-25(13)15)17(18,19)20/h6-10H,2-5H2,1H3
InChIKeyNZJTXIUZQNHZCX-UHFFFAOYSA-N
XLogP2.40
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

azetidin-1-yl-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone
CID 118378971
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone
CID 118378996
(2-methylmorpholin-4-yl)-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone
CID 118378862
N,N-dimethyl-8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 118379021
N-ethyl-8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 118378928
[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone
CID 118379015
[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone
CID 118379027
8-(1,3-oxazol-5-yl)-N-(oxolan-3-ylmethyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 118378946
(3,3-difluoroazetidin-1-yl)-[6-ethyl-8-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone
CID 118399756
[6-(difluoromethyl)-8-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 118399769
(4-methylpiperazin-1-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 115577232
tert-butyl 8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazine-4-carboxylate
CID 118862275

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone (CID 118378860) is (4-methylpiperazin-1-yl)-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone is CN1CCN(C(=O)c2cnc3c(-c4cnco4)cc(C(F)(F)F)cn23)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone?
The InChIKey is NZJTXIUZQNHZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O2/c1-23-2-4-24(5-3-23)16(26)13-7-22-15-12(14-8-21-10-27-14)6-11(9-25(13)15)17(18,19)20/h6-10H,2-5H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone?
(4-methylpiperazin-1-yl)-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone has a molecular weight of 379.34 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone is sourced from PubChem (CID 118378860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).